(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol

C14H11ClF2O2 — CID 61099841

IUPAC(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol
SMILESCOc1ccc(C(O)c2c(F)cccc2F)cc1Cl
InChIInChI=1S/C14H11ClF2O2/c1-19-12-6-5-8(7-9(12)15)14(18)13-10(16)3-2-4-11(13)17/h2-7,14,18H,1H3
InChIKeyZEMGZSPALQDORN-UHFFFAOYSA-N
MW284.69 g/mol
LogP3.71
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol

(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol (PubChem CID 61099841) has the molecular formula C14H11ClF2O2 and a molecular weight of 284.69 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol
PubChem CID61099841
Molecular FormulaC14H11ClF2O2
Molecular Weight284.69 g/mol
Exact Mass284.04
IUPAC Name(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol
SMILESCOc1ccc(C(O)c2c(F)cccc2F)cc1Cl
InChIInChI=1S/C14H11ClF2O2/c1-19-12-6-5-8(7-9(12)15)14(18)13-10(16)3-2-4-11(13)17/h2-7,14,18H,1H3
InChIKeyZEMGZSPALQDORN-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61082454
(3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol
CID 61100995
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine
CID 43130972
(3-chloro-4-methoxyphenyl)-(3-fluorophenyl)methanol
CID 61101567
(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
CID 61100698
(3-chloro-4-methoxyphenyl)-(3,5-difluorophenyl)methanol
CID 61100009
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 82772510
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
(2-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 61099671
(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747390
(2,6-difluorophenyl)-(3-methoxyphenyl)methanol
CID 63893352
(3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 61099330

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol (CID 61099841) is (3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol is COc1ccc(C(O)c2c(F)cccc2F)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol?
The InChIKey is ZEMGZSPALQDORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O2/c1-19-12-6-5-8(7-9(12)15)14(18)13-10(16)3-2-4-11(13)17/h2-7,14,18H,1H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol?
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol has a molecular weight of 284.69 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol is sourced from PubChem (CID 61099841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).