1-[2-[(4-chlorophenyl)methoxy]propyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene

C20H23ClF2O2 — CID 146551830

IUPAC1-[2-[(4-chlorophenyl)methoxy]propyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene
SMILESCC(C)OCc1c(F)ccc(CC(C)OCc2ccc(Cl)cc2)c1F
InChIInChI=1S/C20H23ClF2O2/c1-13(2)24-12-18-19(22)9-6-16(20(18)23)10-14(3)25-11-15-4-7-17(21)8-5-15/h4-9,13-14H,10-12H2,1-3H3
InChIKeyINWSMJHNEKLWQS-UHFFFAOYSA-N
MW368.85 g/mol
LogP5.69
Rot. Bonds8

About 1-[2-[(4-chlorophenyl)methoxy]propyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene

1-[2-[(4-chlorophenyl)methoxy]propyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene (PubChem CID 146551830) has the molecular formula C20H23ClF2O2 and a molecular weight of 368.85 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methoxy]propyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methoxy]propyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene
PubChem CID146551830
Molecular FormulaC20H23ClF2O2
Molecular Weight368.85 g/mol
Exact Mass368.14
IUPAC Name1-[2-[(4-chlorophenyl)methoxy]propyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene
SMILESCC(C)OCc1c(F)ccc(CC(C)OCc2ccc(Cl)cc2)c1F
InChIInChI=1S/C20H23ClF2O2/c1-13(2)24-12-18-19(22)9-6-16(20(18)23)10-14(3)25-11-15-4-7-17(21)8-5-15/h4-9,13-14H,10-12H2,1-3H3
InChIKeyINWSMJHNEKLWQS-UHFFFAOYSA-N
XLogP5.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.85
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 65125262
1-[(4-chlorophenyl)methoxy]ethanol
CID 134444684
1-chloro-4-(1-ethoxyethoxymethyl)benzene
CID 19994952
N-[2-[(4-chlorophenyl)methoxy]propyl]cyclopentanamine
CID 65125616
4-[(4-chlorophenyl)methoxy]pentanoic acid
CID 65127017
1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene
CID 70670788
1-bromo-2,4-difluoro-3-(1-methoxypropan-2-yloxymethyl)benzene
CID 106269997
4-(propan-2-yloxymethyl)benzonitrile
CID 15647231
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8985692
2-[(2-chloro-6-fluorophenyl)methoxy]propane-1-thiol
CID 130205078

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]propyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene?
The IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]propyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene (CID 146551830) is 1-[2-[(4-chlorophenyl)methoxy]propyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methoxy]propyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methoxy]propyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene is CC(C)OCc1c(F)ccc(CC(C)OCc2ccc(Cl)cc2)c1F.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methoxy]propyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene?
The InChIKey is INWSMJHNEKLWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF2O2/c1-13(2)24-12-18-19(22)9-6-16(20(18)23)10-14(3)25-11-15-4-7-17(21)8-5-15/h4-9,13-14H,10-12H2,1-3H3.
What are the key properties of 1-[2-[(4-chlorophenyl)methoxy]propyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene?
1-[2-[(4-chlorophenyl)methoxy]propyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene has a molecular weight of 368.85 g/mol, XLogP of 5.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methoxy]propyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene is sourced from PubChem (CID 146551830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).