[2-[3-(chloromethyl)phenyl]-3,5-difluorophenyl]methanol

C14H11ClF2O — CID 174750208

IUPAC[2-[3-(chloromethyl)phenyl]-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)cc(F)c1-c1cccc(CCl)c1
InChIInChI=1S/C14H11ClF2O/c15-7-9-2-1-3-10(4-9)14-11(8-18)5-12(16)6-13(14)17/h1-6,18H,7-8H2
InChIKeyFCQPYZTVBULHSA-UHFFFAOYSA-N
MW268.69 g/mol
LogP3.86
Rot. Bonds3

About [2-[3-(chloromethyl)phenyl]-3,5-difluorophenyl]methanol

[2-[3-(chloromethyl)phenyl]-3,5-difluorophenyl]methanol (PubChem CID 174750208) has the molecular formula C14H11ClF2O and a molecular weight of 268.69 g/mol. Its IUPAC name is [2-[3-(chloromethyl)phenyl]-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[2-[3-(chloromethyl)phenyl]-3,5-difluorophenyl]methanol
PubChem CID174750208
Molecular FormulaC14H11ClF2O
Molecular Weight268.69 g/mol
Exact Mass268.05
IUPAC Name[2-[3-(chloromethyl)phenyl]-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)cc(F)c1-c1cccc(CCl)c1
InChIInChI=1S/C14H11ClF2O/c15-7-9-2-1-3-10(4-9)14-11(8-18)5-12(16)6-13(14)17/h1-6,18H,7-8H2
InChIKeyFCQPYZTVBULHSA-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(chloromethyl)phenyl]-3,5-difluorophenyl]methanol?
The IUPAC name of [2-[3-(chloromethyl)phenyl]-3,5-difluorophenyl]methanol (CID 174750208) is [2-[3-(chloromethyl)phenyl]-3,5-difluorophenyl]methanol.
What is the SMILES notation for [2-[3-(chloromethyl)phenyl]-3,5-difluorophenyl]methanol?
The canonical SMILES for [2-[3-(chloromethyl)phenyl]-3,5-difluorophenyl]methanol is OCc1cc(F)cc(F)c1-c1cccc(CCl)c1.
What is the InChIKey of [2-[3-(chloromethyl)phenyl]-3,5-difluorophenyl]methanol?
The InChIKey is FCQPYZTVBULHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O/c15-7-9-2-1-3-10(4-9)14-11(8-18)5-12(16)6-13(14)17/h1-6,18H,7-8H2.
What are the key properties of [2-[3-(chloromethyl)phenyl]-3,5-difluorophenyl]methanol?
[2-[3-(chloromethyl)phenyl]-3,5-difluorophenyl]methanol has a molecular weight of 268.69 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(chloromethyl)phenyl]-3,5-difluorophenyl]methanol is sourced from PubChem (CID 174750208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).