(4-chloro-2,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol

C16H16ClFO2 — CID 102884370

IUPAC(4-chloro-2,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(C)c(Cl)cc2C)c(F)c1
InChIInChI=1S/C16H16ClFO2/c1-9-7-14(17)10(2)6-13(9)16(19)12-5-4-11(20-3)8-15(12)18/h4-8,16,19H,1-3H3
InChIKeyFOTLBQFEOXQFHN-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.19
Rot. Bonds3

About (4-chloro-2,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol

(4-chloro-2,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol (PubChem CID 102884370) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is (4-chloro-2,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-2,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
PubChem CID102884370
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name(4-chloro-2,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(C)c(Cl)cc2C)c(F)c1
InChIInChI=1S/C16H16ClFO2/c1-9-7-14(17)10(2)6-13(9)16(19)12-5-4-11(20-3)8-15(12)18/h4-8,16,19H,1-3H3
InChIKeyFOTLBQFEOXQFHN-UHFFFAOYSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-chloro-2,5-dimethylbenzene
CID 102884625
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61080731
(5-chloro-2-fluorophenyl)-(4-methoxy-2-methylphenyl)methanol
CID 61101123
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 102884337
(2-fluoro-4-methoxyphenyl)-(3-methyl-4-pyridinyl)methanol
CID 103395465
(3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103395113
(3,5-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61083265
(2-fluoro-4-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680266
(4-chloro-2,5-dimethylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862759
(2-chlorofuran-3-yl)-(4-methoxy-2-methylphenyl)methanol
CID 106693602
(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol
CID 79996742

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol?
The IUPAC name of (4-chloro-2,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol (CID 102884370) is (4-chloro-2,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for (4-chloro-2,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol?
The canonical SMILES for (4-chloro-2,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2cc(C)c(Cl)cc2C)c(F)c1.
What is the InChIKey of (4-chloro-2,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol?
The InChIKey is FOTLBQFEOXQFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-9-7-14(17)10(2)6-13(9)16(19)12-5-4-11(20-3)8-15(12)18/h4-8,16,19H,1-3H3.
What are the key properties of (4-chloro-2,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol?
(4-chloro-2,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol has a molecular weight of 294.75 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 102884370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).