[4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol

C14H10ClF3O2 — CID 103038387

IUPAC[4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(OCc2ccc(F)c(Cl)c2)c(F)c1
InChIInChI=1S/C14H10ClF3O2/c15-10-3-8(1-2-11(10)16)7-20-14-12(17)4-9(6-19)5-13(14)18/h1-5,19H,6-7H2
InChIKeyZVERKNKZOGPABD-UHFFFAOYSA-N
MW302.68 g/mol
LogP3.83
Rot. Bonds4

About [4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol

[4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol (PubChem CID 103038387) has the molecular formula C14H10ClF3O2 and a molecular weight of 302.68 g/mol. Its IUPAC name is [4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol
PubChem CID103038387
Molecular FormulaC14H10ClF3O2
Molecular Weight302.68 g/mol
Exact Mass302.03
IUPAC Name[4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(OCc2ccc(F)c(Cl)c2)c(F)c1
InChIInChI=1S/C14H10ClF3O2/c15-10-3-8(1-2-11(10)16)7-20-14-12(17)4-9(6-19)5-13(14)18/h1-5,19H,6-7H2
InChIKeyZVERKNKZOGPABD-UHFFFAOYSA-N
XLogP3.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 103038353
[4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol
CID 79888635
[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 893259
[3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol
CID 79888019
[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 893858
[3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 112612722
[3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037818
5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene
CID 79888109
[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077759
3-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 103038113
[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 91686030
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol?
The IUPAC name of [4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol (CID 103038387) is [4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol is OCc1cc(F)c(OCc2ccc(F)c(Cl)c2)c(F)c1.
What is the InChIKey of [4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol?
The InChIKey is ZVERKNKZOGPABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O2/c15-10-3-8(1-2-11(10)16)7-20-14-12(17)4-9(6-19)5-13(14)18/h1-5,19H,6-7H2.
What are the key properties of [4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol?
[4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol has a molecular weight of 302.68 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol is sourced from PubChem (CID 103038387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).