(3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol

C16H16ClFO3 — CID 63194903

IUPAC(3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
SMILESCOc1cc(F)c(C(O)c2ccc(C)c(Cl)c2)cc1OC
InChIInChI=1S/C16H16ClFO3/c1-9-4-5-10(6-12(9)17)16(19)11-7-14(20-2)15(21-3)8-13(11)18/h4-8,16,19H,1-3H3
InChIKeyGVUBOQIEYUPKEK-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.89
Rot. Bonds4

About (3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol

(3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol (PubChem CID 63194903) has the molecular formula C16H16ClFO3 and a molecular weight of 310.75 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
PubChem CID63194903
Molecular FormulaC16H16ClFO3
Molecular Weight310.75 g/mol
Exact Mass310.08
IUPAC Name(3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
SMILESCOc1cc(F)c(C(O)c2ccc(C)c(Cl)c2)cc1OC
InChIInChI=1S/C16H16ClFO3/c1-9-4-5-10(6-12(9)17)16(19)11-7-14(20-2)15(21-3)8-13(11)18/h4-8,16,19H,1-3H3
InChIKeyGVUBOQIEYUPKEK-UHFFFAOYSA-N
XLogP3.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-fluoro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 103395986
1-[bromo-(3-chloro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 63447907
(4-chloro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 107560197
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 82772510
(3-chloro-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 81316466
(5-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61081454
(4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 81293426
(3-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanol
CID 63094000
(3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 65296780
(3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 107560100
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 105399539
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 105057040

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol?
The IUPAC name of (3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol (CID 63194903) is (3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol?
The canonical SMILES for (3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol is COc1cc(F)c(C(O)c2ccc(C)c(Cl)c2)cc1OC.
What is the InChIKey of (3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol?
The InChIKey is GVUBOQIEYUPKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO3/c1-9-4-5-10(6-12(9)17)16(19)11-7-14(20-2)15(21-3)8-13(11)18/h4-8,16,19H,1-3H3.
What are the key properties of (3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol?
(3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol has a molecular weight of 310.75 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 63194903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).