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

C16H16ClFO3 — CID 81316466

IUPAC(3-chloro-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
SMILESCOc1cc(F)c(C(O)c2cc(C)cc(Cl)c2)cc1OC
InChIInChI=1S/C16H16ClFO3/c1-9-4-10(6-11(17)5-9)16(19)12-7-14(20-2)15(21-3)8-13(12)18/h4-8,16,19H,1-3H3
InChIKeyBAFILRWKWDUVHP-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.89
Rot. Bonds4

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

(3-chloro-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol (PubChem CID 81316466) has the molecular formula C16H16ClFO3 and a molecular weight of 310.75 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
PubChem CID81316466
Molecular FormulaC16H16ClFO3
Molecular Weight310.75 g/mol
Exact Mass310.08
IUPAC Name(3-chloro-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
SMILESCOc1cc(F)c(C(O)c2cc(C)cc(Cl)c2)cc1OC
InChIInChI=1S/C16H16ClFO3/c1-9-4-10(6-11(17)5-9)16(19)12-7-14(20-2)15(21-3)8-13(12)18/h4-8,16,19H,1-3H3
InChIKeyBAFILRWKWDUVHP-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

(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 105057119
(3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 63194903
(4-chloro-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823109
(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324307
(4-chloro-3-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 115818074
(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol
CID 61088323
(5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61080574
(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 61101584
(5-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61081454
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284207
(4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679789
(3,5-dimethylphenyl)-(2-methoxy-4-methylphenyl)methanol
CID 106790985

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol?
The IUPAC name of (3-chloro-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol (CID 81316466) is (3-chloro-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol?
The canonical SMILES for (3-chloro-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol is COc1cc(F)c(C(O)c2cc(C)cc(Cl)c2)cc1OC.
What is the InChIKey of (3-chloro-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol?
The InChIKey is BAFILRWKWDUVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO3/c1-9-4-10(6-11(17)5-9)16(19)12-7-14(20-2)15(21-3)8-13(12)18/h4-8,16,19H,1-3H3.
What are the key properties of (3-chloro-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol?
(3-chloro-5-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-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 81316466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).