(5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol

C16H16ClFO2 — CID 106879586

IUPAC(5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
SMILESCOc1ccc(Cl)cc1C(O)c1c(C)cc(F)cc1C
InChIInChI=1S/C16H16ClFO2/c1-9-6-12(18)7-10(2)15(9)16(19)13-8-11(17)4-5-14(13)20-3/h4-8,16,19H,1-3H3
InChIKeyLVKSANBUZWYMNG-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.19
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol

(5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol (PubChem CID 106879586) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
PubChem CID106879586
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name(5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
SMILESCOc1ccc(Cl)cc1C(O)c1c(C)cc(F)cc1C
InChIInChI=1S/C16H16ClFO2/c1-9-6-12(18)7-10(2)15(9)16(19)13-8-11(17)4-5-14(13)20-3/h4-8,16,19H,1-3H3
InChIKeyLVKSANBUZWYMNG-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

(2,5-dichlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879574
(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087442
(5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303352
(4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679789
(2-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879528
(5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol
CID 115525000
(5-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61081454
(4-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 63895530
(4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115829313
(5-chloro-2-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 82883112
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methanol
CID 79722706
(5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61080574

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol (CID 106879586) is (5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol is COc1ccc(Cl)cc1C(O)c1c(C)cc(F)cc1C.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol?
The InChIKey is LVKSANBUZWYMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-9-6-12(18)7-10(2)15(9)16(19)13-8-11(17)4-5-14(13)20-3/h4-8,16,19H,1-3H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol?
(5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-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 (5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol is sourced from PubChem (CID 106879586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).