(4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol

C16H16ClFO2 — CID 106679789

IUPAC(4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
SMILESCOc1cc(C)cc(C)c1C(O)c1ccc(Cl)cc1F
InChIInChI=1S/C16H16ClFO2/c1-9-6-10(2)15(14(7-9)20-3)16(19)12-5-4-11(17)8-13(12)18/h4-8,16,19H,1-3H3
InChIKeyGTLMMTMWDNGQGW-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.19
Rot. Bonds3

About (4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol

(4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol (PubChem CID 106679789) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
PubChem CID106679789
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name(4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
SMILESCOc1cc(C)cc(C)c1C(O)c1ccc(Cl)cc1F
InChIInChI=1S/C16H16ClFO2/c1-9-6-10(2)15(14(7-9)20-3)16(19)12-5-4-11(17)8-13(12)18/h4-8,16,19H,1-3H3
InChIKeyGTLMMTMWDNGQGW-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-fluoro-4-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680266
(2-chloro-3-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106682622
(5-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680991
(5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879586
(4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115829313
(2-fluoro-6-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680256
(5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679531
(4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 63426444
(2,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106884176
(5-chloro-2-methylphenyl)-(2,4,6-trimethylphenyl)methanol
CID 82883722
(4-chloro-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823109
(4-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679678

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The IUPAC name of (4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol (CID 106679789) is (4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol is COc1cc(C)cc(C)c1C(O)c1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The InChIKey is GTLMMTMWDNGQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-9-6-10(2)15(14(7-9)20-3)16(19)12-5-4-11(17)8-13(12)18/h4-8,16,19H,1-3H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol?
(4-chloro-2-fluorophenyl)-(2-methoxy-4,6-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 (4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol is sourced from PubChem (CID 106679789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).