[4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol

C16H16F2O3 — CID 61101461

IUPAC[4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(OC(F)F)cc2)c(C)c1
InChIInChI=1S/C16H16F2O3/c1-10-9-13(20-2)7-8-14(10)15(19)11-3-5-12(6-4-11)21-16(17)18/h3-9,15-16,19H,1-2H3
InChIKeyXODGVLXLGSTBBO-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.69
Rot. Bonds5

About [4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol

[4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol (PubChem CID 61101461) has the molecular formula C16H16F2O3 and a molecular weight of 294.30 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol
PubChem CID61101461
Molecular FormulaC16H16F2O3
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name[4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(OC(F)F)cc2)c(C)c1
InChIInChI=1S/C16H16F2O3/c1-10-9-13(20-2)7-8-14(10)15(19)11-3-5-12(6-4-11)21-16(17)18/h3-9,15-16,19H,1-2H3
InChIKeyXODGVLXLGSTBBO-UHFFFAOYSA-N
XLogP3.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(difluoromethoxy)phenyl]-(2,4-dimethylphenyl)methanol
CID 61100942
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114
[4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol
CID 79725993
(3-fluorophenyl)-(4-methoxy-2-methylphenyl)methanol
CID 61101111
1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol
CID 63743179
(2,4-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802132
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116
(2,5-dimethylphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 61101284
(4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol
CID 79699607
(5-chloro-2-fluorophenyl)-(4-methoxy-2-methylphenyl)methanol
CID 61101123
(2-fluoro-6-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65433478
2-fluoro-2-(4-methoxy-2-methylphenyl)ethanol
CID 105426307

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol?
The IUPAC name of [4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol (CID 61101461) is [4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol is COc1ccc(C(O)c2ccc(OC(F)F)cc2)c(C)c1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol?
The InChIKey is XODGVLXLGSTBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O3/c1-10-9-13(20-2)7-8-14(10)15(19)11-3-5-12(6-4-11)21-16(17)18/h3-9,15-16,19H,1-2H3.
What are the key properties of [4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol?
[4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol has a molecular weight of 294.30 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol is sourced from PubChem (CID 61101461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).