2-chloro-1-[2-[3-fluoro-4-[2-(3-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]-4-propan-2-ylbenzene

C28H32ClFO — CID 155461486

IUPAC2-chloro-1-[2-[3-fluoro-4-[2-(3-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]-4-propan-2-ylbenzene
SMILESCOc1cccc(C(C)(C)c2ccc(C(C)(C)c3ccc(C(C)C)cc3Cl)cc2F)c1
InChIInChI=1S/C28H32ClFO/c1-18(2)19-11-13-23(25(29)15-19)27(3,4)21-12-14-24(26(30)17-21)28(5,6)20-9-8-10-22(16-20)31-7/h8-18H,1-7H3
InChIKeyNGDWOUAPMKUSJR-UHFFFAOYSA-N
MW439.01 g/mol
LogP8.26
Rot. Bonds6

About 2-chloro-1-[2-[3-fluoro-4-[2-(3-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]-4-propan-2-ylbenzene

2-chloro-1-[2-[3-fluoro-4-[2-(3-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]-4-propan-2-ylbenzene (PubChem CID 155461486) has the molecular formula C28H32ClFO and a molecular weight of 439.01 g/mol. Its IUPAC name is 2-chloro-1-[2-[3-fluoro-4-[2-(3-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-chloro-1-[2-[3-fluoro-4-[2-(3-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]-4-propan-2-ylbenzene
PubChem CID155461486
Molecular FormulaC28H32ClFO
Molecular Weight439.01 g/mol
Exact Mass438.21
IUPAC Name2-chloro-1-[2-[3-fluoro-4-[2-(3-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]-4-propan-2-ylbenzene
SMILESCOc1cccc(C(C)(C)c2ccc(C(C)(C)c3ccc(C(C)C)cc3Cl)cc2F)c1
InChIInChI=1S/C28H32ClFO/c1-18(2)19-11-13-23(25(29)15-19)27(3,4)21-12-14-24(26(30)17-21)28(5,6)20-9-8-10-22(16-20)31-7/h8-18H,1-7H3
InChIKeyNGDWOUAPMKUSJR-UHFFFAOYSA-N
XLogP8.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.01
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-[2-(2-chloro-4-propan-2-ylphenyl)propan-2-yl]-2-fluorobenzene
CID 138625473
1-(3,4-difluorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 62802017
1,3-dichloro-2-[2-(3,4-difluorophenyl)propan-2-yl]-5-propan-2-ylbenzene
CID 126702990
methanol;1-methoxy-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene
CID 144743530
1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine
CID 61496061
1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene
CID 170780571
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562
1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene
CID 116841485
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
CID 176900068
1-methoxy-3-(3-propan-2-ylphenyl)benzene
CID 23110868

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-[3-fluoro-4-[2-(3-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]-4-propan-2-ylbenzene?
The IUPAC name of 2-chloro-1-[2-[3-fluoro-4-[2-(3-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]-4-propan-2-ylbenzene (CID 155461486) is 2-chloro-1-[2-[3-fluoro-4-[2-(3-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]-4-propan-2-ylbenzene.
What is the SMILES notation for 2-chloro-1-[2-[3-fluoro-4-[2-(3-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]-4-propan-2-ylbenzene?
The canonical SMILES for 2-chloro-1-[2-[3-fluoro-4-[2-(3-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]-4-propan-2-ylbenzene is COc1cccc(C(C)(C)c2ccc(C(C)(C)c3ccc(C(C)C)cc3Cl)cc2F)c1.
What is the InChIKey of 2-chloro-1-[2-[3-fluoro-4-[2-(3-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]-4-propan-2-ylbenzene?
The InChIKey is NGDWOUAPMKUSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClFO/c1-18(2)19-11-13-23(25(29)15-19)27(3,4)21-12-14-24(26(30)17-21)28(5,6)20-9-8-10-22(16-20)31-7/h8-18H,1-7H3.
What are the key properties of 2-chloro-1-[2-[3-fluoro-4-[2-(3-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]-4-propan-2-ylbenzene?
2-chloro-1-[2-[3-fluoro-4-[2-(3-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]-4-propan-2-ylbenzene has a molecular weight of 439.01 g/mol, XLogP of 8.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-[3-fluoro-4-[2-(3-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]-4-propan-2-ylbenzene is sourced from PubChem (CID 155461486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).