[2-[(3,4-dimethoxyphenyl)methoxy]-3-fluorophenyl]methanol

C16H17FO4 — CID 115956347

IUPAC[2-[(3,4-dimethoxyphenyl)methoxy]-3-fluorophenyl]methanol
SMILESCOc1ccc(COc2c(F)cccc2CO)cc1OC
InChIInChI=1S/C16H17FO4/c1-19-14-7-6-11(8-15(14)20-2)10-21-16-12(9-18)4-3-5-13(16)17/h3-8,18H,9-10H2,1-2H3
InChIKeyPZACHCQKCLJAJN-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.91
Rot. Bonds6

About [2-[(3,4-dimethoxyphenyl)methoxy]-3-fluorophenyl]methanol

[2-[(3,4-dimethoxyphenyl)methoxy]-3-fluorophenyl]methanol (PubChem CID 115956347) has the molecular formula C16H17FO4 and a molecular weight of 292.31 g/mol. Its IUPAC name is [2-[(3,4-dimethoxyphenyl)methoxy]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[(3,4-dimethoxyphenyl)methoxy]-3-fluorophenyl]methanol
PubChem CID115956347
Molecular FormulaC16H17FO4
Molecular Weight292.31 g/mol
Exact Mass292.11
IUPAC Name[2-[(3,4-dimethoxyphenyl)methoxy]-3-fluorophenyl]methanol
SMILESCOc1ccc(COc2c(F)cccc2CO)cc1OC
InChIInChI=1S/C16H17FO4/c1-19-14-7-6-11(8-15(14)20-2)10-21-16-12(9-18)4-3-5-13(16)17/h3-8,18H,9-10H2,1-2H3
InChIKeyPZACHCQKCLJAJN-UHFFFAOYSA-N
XLogP2.91
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol
CID 115956147
4-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]phenol
CID 112613126
[3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol
CID 81269477
5-[(2,6-difluorophenoxy)methyl]-2-methoxybenzenecarbothioamide
CID 81264859
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 2987070
1-(bromomethyl)-2-[(3,4-dimethoxyphenyl)methoxy]-3-methylbenzene
CID 115956901
[3-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]methanol
CID 112613122
[3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 112612722
[3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]methanol
CID 112613013
[3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 107882229
2-[(3-bromo-4-methoxyphenyl)methoxy]-3-fluorobenzoic acid
CID 115956053
N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide
CID 108946228

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dimethoxyphenyl)methoxy]-3-fluorophenyl]methanol?
The IUPAC name of [2-[(3,4-dimethoxyphenyl)methoxy]-3-fluorophenyl]methanol (CID 115956347) is [2-[(3,4-dimethoxyphenyl)methoxy]-3-fluorophenyl]methanol.
What is the SMILES notation for [2-[(3,4-dimethoxyphenyl)methoxy]-3-fluorophenyl]methanol?
The canonical SMILES for [2-[(3,4-dimethoxyphenyl)methoxy]-3-fluorophenyl]methanol is COc1ccc(COc2c(F)cccc2CO)cc1OC.
What is the InChIKey of [2-[(3,4-dimethoxyphenyl)methoxy]-3-fluorophenyl]methanol?
The InChIKey is PZACHCQKCLJAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO4/c1-19-14-7-6-11(8-15(14)20-2)10-21-16-12(9-18)4-3-5-13(16)17/h3-8,18H,9-10H2,1-2H3.
What are the key properties of [2-[(3,4-dimethoxyphenyl)methoxy]-3-fluorophenyl]methanol?
[2-[(3,4-dimethoxyphenyl)methoxy]-3-fluorophenyl]methanol has a molecular weight of 292.31 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dimethoxyphenyl)methoxy]-3-fluorophenyl]methanol is sourced from PubChem (CID 115956347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).