[2-[(3,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol

C16H16F2O4 — CID 75519404

IUPAC[2-[(3,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(OCc2ccc(F)c(F)c2)c(CO)c1
InChIInChI=1S/C16H16F2O4/c1-21-13-5-11(7-19)16(12(6-13)8-20)22-9-10-2-3-14(17)15(18)4-10/h2-6,19-20H,7-9H2,1H3
InChIKeyFZUHOPYSFFUMAF-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.54
Rot. Bonds6

About [2-[(3,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol

[2-[(3,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol (PubChem CID 75519404) has the molecular formula C16H16F2O4 and a molecular weight of 310.30 g/mol. Its IUPAC name is [2-[(3,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[(3,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol
PubChem CID75519404
Molecular FormulaC16H16F2O4
Molecular Weight310.30 g/mol
Exact Mass310.10
IUPAC Name[2-[(3,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(OCc2ccc(F)c(F)c2)c(CO)c1
InChIInChI=1S/C16H16F2O4/c1-21-13-5-11(7-19)16(12(6-13)8-20)22-9-10-2-3-14(17)15(18)4-10/h2-6,19-20H,7-9H2,1H3
InChIKeyFZUHOPYSFFUMAF-UHFFFAOYSA-N
XLogP2.54
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(3,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 82918272
[3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 112612722
2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene
CID 82919668
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 107882261
[3,5-dichloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43516151
[2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol
CID 115956147
[2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 82918459
[5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 78993100
[3,5-difluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]methanol
CID 102877122
[2-[(3,4-dimethoxyphenyl)methoxy]-3-fluorophenyl]methanol
CID 115956347
1-bromo-5-(bromomethyl)-2-[(3,4-difluorophenyl)methoxy]-3-methoxybenzene
CID 82916368
[5-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]methanol
CID 18758409

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol?
The IUPAC name of [2-[(3,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol (CID 75519404) is [2-[(3,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol.
What is the SMILES notation for [2-[(3,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol?
The canonical SMILES for [2-[(3,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol is COc1cc(CO)c(OCc2ccc(F)c(F)c2)c(CO)c1.
What is the InChIKey of [2-[(3,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol?
The InChIKey is FZUHOPYSFFUMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O4/c1-21-13-5-11(7-19)16(12(6-13)8-20)22-9-10-2-3-14(17)15(18)4-10/h2-6,19-20H,7-9H2,1H3.
What are the key properties of [2-[(3,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol?
[2-[(3,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol has a molecular weight of 310.30 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol is sourced from PubChem (CID 75519404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).