4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1R)-2,2-dimethylcyclopentyl]benzene;4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1S)-2,2-dimethylcyclopentyl]benzene;[4-[3-(difluoromethoxy)phenyl]-3-[(1R)-2,2-dimethylcyclopentyl]phenyl]methanol;[4-[3-(difluoromethoxy)phenyl]-3-[(1S)-2,2-dimethylcyclopentyl]phenyl]methanol

C84H94Cl2F8O6 — CID 159761595

IUPAC4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1R)-2,2-dimethylcyclopentyl]benzene;4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1S)-2,2-dimethylcyclopentyl]benzene;[4-[3-(difluoromethoxy)phenyl]-3-[(1R)-2,2-dimethylcyclopentyl]phenyl]methanol;[4-[3-(difluoromethoxy)phenyl]-3-[(1S)-2,2-dimethylcyclopentyl]phenyl]methanol
SMILESCC1(C)CCC[C@@H]1c1cc(CCl)ccc1-c1cccc(OC(F)F)c1.CC1(C)CCC[C@@H]1c1cc(CO)ccc1-c1cccc(OC(F)F)c1.CC1(C)CCC[C@H]1c1cc(CCl)ccc1-c1cccc(OC(F)F)c1.CC1(C)CCC[C@H]1c1cc(CO)ccc1-c1cccc(OC(F)F)c1
InChIInChI=1S/2C21H23ClF2O.2C21H24F2O2/c2*1-21(2)10-4-7-19(21)18-11-14(13-22)8-9-17(18)15-5-3-6-16(12-15)25-20(23)24;2*1-21(2)10-4-7-19(21)18-11-14(13-24)8-9-17(18)15-5-3-6-16(12-15)25-20(22)23/h2*3,5-6,8-9,11-12,19-20H,4,7,10,13H2,1-2H3;2*3,5-6,8-9,11-12,19-20,24H,4,7,10,13H2,1-2H3/t4*19-/m1010/s1
InChIKeyNEYPMOOLJVRQKH-MLXOYDSKSA-N
MW1422.56 g/mol
LogP25.46
Rot. Bonds20

About 4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1R)-2,2-dimethylcyclopentyl]benzene;4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1S)-2,2-dimethylcyclopentyl]benzene;[4-[3-(difluoromethoxy)phenyl]-3-[(1R)-2,2-dimethylcyclopentyl]phenyl]methanol;[4-[3-(difluoromethoxy)phenyl]-3-[(1S)-2,2-dimethylcyclopentyl]phenyl]methanol

4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1R)-2,2-dimethylcyclopentyl]benzene;4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1S)-2,2-dimethylcyclopentyl]benzene;[4-[3-(difluoromethoxy)phenyl]-3-[(1R)-2,2-dimethylcyclopentyl]phenyl]methanol;[4-[3-(difluoromethoxy)phenyl]-3-[(1S)-2,2-dimethylcyclopentyl]phenyl]methanol (PubChem CID 159761595) has the molecular formula C84H94Cl2F8O6 and a molecular weight of 1422.56 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1R)-2,2-dimethylcyclopentyl]benzene;4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1S)-2,2-dimethylcyclopentyl]benzene;[4-[3-(difluoromethoxy)phenyl]-3-[(1R)-2,2-dimethylcyclopentyl]phenyl]methanol;[4-[3-(difluoromethoxy)phenyl]-3-[(1S)-2,2-dimethylcyclopentyl]phenyl]methanol.

Molecular Properties

Compound Name4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1R)-2,2-dimethylcyclopentyl]benzene;4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1S)-2,2-dimethylcyclopentyl]benzene;[4-[3-(difluoromethoxy)phenyl]-3-[(1R)-2,2-dimethylcyclopentyl]phenyl]methanol;[4-[3-(difluoromethoxy)phenyl]-3-[(1S)-2,2-dimethylcyclopentyl]phenyl]methanol
PubChem CID159761595
Molecular FormulaC84H94Cl2F8O6
Molecular Weight1422.56 g/mol
Exact Mass1420.63
IUPAC Name4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1R)-2,2-dimethylcyclopentyl]benzene;4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1S)-2,2-dimethylcyclopentyl]benzene;[4-[3-(difluoromethoxy)phenyl]-3-[(1R)-2,2-dimethylcyclopentyl]phenyl]methanol;[4-[3-(difluoromethoxy)phenyl]-3-[(1S)-2,2-dimethylcyclopentyl]phenyl]methanol
SMILESCC1(C)CCC[C@@H]1c1cc(CCl)ccc1-c1cccc(OC(F)F)c1.CC1(C)CCC[C@@H]1c1cc(CO)ccc1-c1cccc(OC(F)F)c1.CC1(C)CCC[C@H]1c1cc(CCl)ccc1-c1cccc(OC(F)F)c1.CC1(C)CCC[C@H]1c1cc(CO)ccc1-c1cccc(OC(F)F)c1
InChIInChI=1S/2C21H23ClF2O.2C21H24F2O2/c2*1-21(2)10-4-7-19(21)18-11-14(13-22)8-9-17(18)15-5-3-6-16(12-15)25-20(23)24;2*1-21(2)10-4-7-19(21)18-11-14(13-24)8-9-17(18)15-5-3-6-16(12-15)25-20(22)23/h2*3,5-6,8-9,11-12,19-20H,4,7,10,13H2,1-2H3;2*3,5-6,8-9,11-12,19-20,24H,4,7,10,13H2,1-2H3/t4*19-/m1010/s1
InChIKeyNEYPMOOLJVRQKH-MLXOYDSKSA-N
XLogP25.46
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001422.56
LogP ≤ 525.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1R)-2,2-dimethylcyclopentyl]benzene;4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1S)-2,2-dimethylcyclopentyl]benzene;[4-[3-(difluoromethoxy)phenyl]-3-[(1R)-2,2-dimethylcyclopentyl]phenyl]methanol;[4-[3-(difluoromethoxy)phenyl]-3-[(1S)-2,2-dimethylcyclopentyl]phenyl]methanol with MolForge

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Related Compounds

1-(chloromethyl)-3-[3-(difluoromethoxy)phenyl]-2-[(1S)-2,2-dimethylcyclopentyl]benzene
CID 67429588
methyl 4-[3-(difluoromethoxy)phenyl]-3-(2,2-dimethylcyclopentyl)benzoate;methyl 3-(2,2-dimethylcyclopentyl)-4-methylsulfonyloxybenzoate
CID 161398256
[4-[5-(difluoromethyl)-2-fluorophenyl]-3-(2,2-dimethylcyclopentyl)phenyl]methanol;ethane
CID 143977587
[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methylphenyl)phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methylphenyl)phenyl]methanol
CID 123527100
3-cyclopropyl-3-[3-[[3-(2,2-dimethylcyclopentyl)-4-(3-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
CID 76598988
1-(chloromethyl)-2-(difluoromethoxy)-3-[(1S)-2,2-dimethylcyclopentyl]-4-phenylbenzene
CID 67378412
[4-[5-(difluoromethyl)-2-fluoro-6-methylcyclohexa-1,3-dien-1-yl]-3-[(1S)-2,2-dimethylcyclopentyl]phenyl]methanol
CID 162559423
[3-(difluoromethoxy)phenyl]methanol
CID 2736994
5-chloro-4-[4-(chloromethyl)-2-[(1R)-2,2-dimethylcyclopentyl]phenyl]-2-methoxypyridine
CID 57467647
(2S)-3-[3-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]-2-methylpropanoic acid
CID 68731824
(3R)-3-[3-[[4-[5-(difluoromethyl)-2-fluorophenyl]-3-[(1R)-2,2-dimethylcyclopentyl]phenyl]methoxy]phenyl]-3-hydroxypropanoic acid
CID 153244025
cyclopropane;3-[3-[[4-[5-(difluoromethyl)-2-fluorophenyl]-3-(2,2-dimethylcyclopentyl)phenyl]methoxy]phenyl]propanoic acid;ethane
CID 143789229

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1R)-2,2-dimethylcyclopentyl]benzene;4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1S)-2,2-dimethylcyclopentyl]benzene;[4-[3-(difluoromethoxy)phenyl]-3-[(1R)-2,2-dimethylcyclopentyl]phenyl]methanol;[4-[3-(difluoromethoxy)phenyl]-3-[(1S)-2,2-dimethylcyclopentyl]phenyl]methanol?
The IUPAC name of 4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1R)-2,2-dimethylcyclopentyl]benzene;4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1S)-2,2-dimethylcyclopentyl]benzene;[4-[3-(difluoromethoxy)phenyl]-3-[(1R)-2,2-dimethylcyclopentyl]phenyl]methanol;[4-[3-(difluoromethoxy)phenyl]-3-[(1S)-2,2-dimethylcyclopentyl]phenyl]methanol (CID 159761595) is 4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1R)-2,2-dimethylcyclopentyl]benzene;4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1S)-2,2-dimethylcyclopentyl]benzene;[4-[3-(difluoromethoxy)phenyl]-3-[(1R)-2,2-dimethylcyclopentyl]phenyl]methanol;[4-[3-(difluoromethoxy)phenyl]-3-[(1S)-2,2-dimethylcyclopentyl]phenyl]methanol.
What is the SMILES notation for 4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1R)-2,2-dimethylcyclopentyl]benzene;4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1S)-2,2-dimethylcyclopentyl]benzene;[4-[3-(difluoromethoxy)phenyl]-3-[(1R)-2,2-dimethylcyclopentyl]phenyl]methanol;[4-[3-(difluoromethoxy)phenyl]-3-[(1S)-2,2-dimethylcyclopentyl]phenyl]methanol?
The canonical SMILES for 4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1R)-2,2-dimethylcyclopentyl]benzene;4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1S)-2,2-dimethylcyclopentyl]benzene;[4-[3-(difluoromethoxy)phenyl]-3-[(1R)-2,2-dimethylcyclopentyl]phenyl]methanol;[4-[3-(difluoromethoxy)phenyl]-3-[(1S)-2,2-dimethylcyclopentyl]phenyl]methanol is CC1(C)CCC[C@@H]1c1cc(CCl)ccc1-c1cccc(OC(F)F)c1.CC1(C)CCC[C@@H]1c1cc(CO)ccc1-c1cccc(OC(F)F)c1.CC1(C)CCC[C@H]1c1cc(CCl)ccc1-c1cccc(OC(F)F)c1.CC1(C)CCC[C@H]1c1cc(CO)ccc1-c1cccc(OC(F)F)c1.
What is the InChIKey of 4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1R)-2,2-dimethylcyclopentyl]benzene;4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1S)-2,2-dimethylcyclopentyl]benzene;[4-[3-(difluoromethoxy)phenyl]-3-[(1R)-2,2-dimethylcyclopentyl]phenyl]methanol;[4-[3-(difluoromethoxy)phenyl]-3-[(1S)-2,2-dimethylcyclopentyl]phenyl]methanol?
The InChIKey is NEYPMOOLJVRQKH-MLXOYDSKSA-N. The full InChI is InChI=1S/2C21H23ClF2O.2C21H24F2O2/c2*1-21(2)10-4-7-19(21)18-11-14(13-22)8-9-17(18)15-5-3-6-16(12-15)25-20(23)24;2*1-21(2)10-4-7-19(21)18-11-14(13-24)8-9-17(18)15-5-3-6-16(12-15)25-20(22)23/h2*3,5-6,8-9,11-12,19-20H,4,7,10,13H2,1-2H3;2*3,5-6,8-9,11-12,19-20,24H,4,7,10,13H2,1-2H3/t4*19-/m1010/s1.
What are the key properties of 4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1R)-2,2-dimethylcyclopentyl]benzene;4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1S)-2,2-dimethylcyclopentyl]benzene;[4-[3-(difluoromethoxy)phenyl]-3-[(1R)-2,2-dimethylcyclopentyl]phenyl]methanol;[4-[3-(difluoromethoxy)phenyl]-3-[(1S)-2,2-dimethylcyclopentyl]phenyl]methanol?
4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1R)-2,2-dimethylcyclopentyl]benzene;4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1S)-2,2-dimethylcyclopentyl]benzene;[4-[3-(difluoromethoxy)phenyl]-3-[(1R)-2,2-dimethylcyclopentyl]phenyl]methanol;[4-[3-(difluoromethoxy)phenyl]-3-[(1S)-2,2-dimethylcyclopentyl]phenyl]methanol has a molecular weight of 1422.56 g/mol, XLogP of 25.46, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1R)-2,2-dimethylcyclopentyl]benzene;4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1S)-2,2-dimethylcyclopentyl]benzene;[4-[3-(difluoromethoxy)phenyl]-3-[(1R)-2,2-dimethylcyclopentyl]phenyl]methanol;[4-[3-(difluoromethoxy)phenyl]-3-[(1S)-2,2-dimethylcyclopentyl]phenyl]methanol is sourced from PubChem (CID 159761595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).