[3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol

C14H11ClF2O2 — CID 112612722

IUPAC[3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
SMILESOCc1cccc(Cl)c1OCc1ccc(F)c(F)c1
InChIInChI=1S/C14H11ClF2O2/c15-11-3-1-2-10(7-18)14(11)19-8-9-4-5-12(16)13(17)6-9/h1-6,18H,7-8H2
InChIKeyZXTOWACIOXZOAP-UHFFFAOYSA-N
MW284.69 g/mol
LogP3.69
Rot. Bonds4

About [3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol

[3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol (PubChem CID 112612722) has the molecular formula C14H11ClF2O2 and a molecular weight of 284.69 g/mol. Its IUPAC name is [3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
PubChem CID112612722
Molecular FormulaC14H11ClF2O2
Molecular Weight284.69 g/mol
Exact Mass284.04
IUPAC Name[3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
SMILESOCc1cccc(Cl)c1OCc1ccc(F)c(F)c1
InChIInChI=1S/C14H11ClF2O2/c15-11-3-1-2-10(7-18)14(11)19-8-9-4-5-12(16)13(17)6-9/h1-6,18H,7-8H2
InChIKeyZXTOWACIOXZOAP-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 115956286
[3-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 103046982
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanol
CID 112612622
[3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
CID 112612639
[2-[(2-chlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112613091
[4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol
CID 103038387
[2-[(3,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol
CID 75519404
[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112612937
[3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 115951940
4-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]phenol
CID 112613126
3-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878154
[2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol
CID 115956147

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol?
The IUPAC name of [3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol (CID 112612722) is [3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol is OCc1cccc(Cl)c1OCc1ccc(F)c(F)c1.
What is the InChIKey of [3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol?
The InChIKey is ZXTOWACIOXZOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O2/c15-11-3-1-2-10(7-18)14(11)19-8-9-4-5-12(16)13(17)6-9/h1-6,18H,7-8H2.
What are the key properties of [3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol?
[3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol has a molecular weight of 284.69 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 112612722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).