[3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol

C16H16F2O3 — CID 116809823

IUPAC[3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1cccc(C(F)F)c1
InChIInChI=1S/C16H16F2O3/c1-20-12-7-4-8-13(21-2)14(12)15(19)10-5-3-6-11(9-10)16(17)18/h3-9,15-16,19H,1-2H3
InChIKeyKKXBSGZABJBAAW-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.72
Rot. Bonds5

About [3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol

[3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol (PubChem CID 116809823) has the molecular formula C16H16F2O3 and a molecular weight of 294.30 g/mol. Its IUPAC name is [3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol
PubChem CID116809823
Molecular FormulaC16H16F2O3
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name[3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1cccc(C(F)F)c1
InChIInChI=1S/C16H16F2O3/c1-20-12-7-4-8-13(21-2)14(12)15(19)10-5-3-6-11(9-10)16(17)18/h3-9,15-16,19H,1-2H3
InChIKeyKKXBSGZABJBAAW-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 116809700
[3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol
CID 115527689
(3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 116809848
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
(2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
CID 116809671
(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747390
[4-(difluoromethyl)phenyl]-(2-methoxyphenyl)methanol
CID 115525064
(2,6-dimethoxy-4-methylphenyl)-phenylmethanol
CID 101134795
[3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432669
(3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 79746374
[3-(difluoromethyl)phenyl]methanediol
CID 162564421
2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol
CID 84694392

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol?
The IUPAC name of [3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol (CID 116809823) is [3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol.
What is the SMILES notation for [3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol?
The canonical SMILES for [3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol is COc1cccc(OC)c1C(O)c1cccc(C(F)F)c1.
What is the InChIKey of [3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol?
The InChIKey is KKXBSGZABJBAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O3/c1-20-12-7-4-8-13(21-2)14(12)15(19)10-5-3-6-11(9-10)16(17)18/h3-9,15-16,19H,1-2H3.
What are the key properties of [3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol?
[3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol has a molecular weight of 294.30 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol is sourced from PubChem (CID 116809823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).