(3-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol

C16H16ClFO2 — CID 83068636

IUPAC(3-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
SMILESCOc1c(C)cc(C(O)c2cccc(Cl)c2F)cc1C
InChIInChI=1S/C16H16ClFO2/c1-9-7-11(8-10(2)16(9)20-3)15(19)12-5-4-6-13(17)14(12)18/h4-8,15,19H,1-3H3
InChIKeyDEYITJGKAMVVSU-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.19
Rot. Bonds3

About (3-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol

(3-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol (PubChem CID 83068636) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
PubChem CID83068636
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name(3-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
SMILESCOc1c(C)cc(C(O)c2cccc(Cl)c2F)cc1C
InChIInChI=1S/C16H16ClFO2/c1-9-7-11(8-10(2)16(9)20-3)15(19)12-5-4-6-13(17)14(12)18/h4-8,15,19H,1-3H3
InChIKeyDEYITJGKAMVVSU-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

(2,3-dichlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83067902
(2-chloro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83068641
(3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol
CID 64712600
1-[bromo-(3-chloro-2-fluorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 81267470
2-[hydroxy-(4-methoxy-3,5-dimethylphenyl)methyl]benzoic acid
CID 83046006
(3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 107955673
(3-chloro-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116543595
(4-chlorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477274
(1S)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712910
(2-fluoro-3-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115828621
(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806466
(2-fluoro-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823134

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol?
The IUPAC name of (3-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol (CID 83068636) is (3-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol is COc1c(C)cc(C(O)c2cccc(Cl)c2F)cc1C.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol?
The InChIKey is DEYITJGKAMVVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-9-7-11(8-10(2)16(9)20-3)15(19)12-5-4-6-13(17)14(12)18/h4-8,15,19H,1-3H3.
What are the key properties of (3-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol?
(3-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)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 (3-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol is sourced from PubChem (CID 83068636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).