[3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol

C15H14F2O3 — CID 81269477

IUPAC[3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1COc1c(F)cccc1F
InChIInChI=1S/C15H14F2O3/c1-19-14-6-5-10(8-18)7-11(14)9-20-15-12(16)3-2-4-13(15)17/h2-7,18H,8-9H2,1H3
InChIKeyBUPXWRGEWBNKRO-UHFFFAOYSA-N
MW280.27 g/mol
LogP3.04
Rot. Bonds5

About [3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol

[3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol (PubChem CID 81269477) has the molecular formula C15H14F2O3 and a molecular weight of 280.27 g/mol. Its IUPAC name is [3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol
PubChem CID81269477
Molecular FormulaC15H14F2O3
Molecular Weight280.27 g/mol
Exact Mass280.09
IUPAC Name[3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1COc1c(F)cccc1F
InChIInChI=1S/C15H14F2O3/c1-19-14-6-5-10(8-18)7-11(14)9-20-15-12(16)3-2-4-13(15)17/h2-7,18H,8-9H2,1H3
InChIKeyBUPXWRGEWBNKRO-UHFFFAOYSA-N
XLogP3.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3,5-difluorophenoxy)methyl]-4-methoxyphenyl]methanol
CID 62785626
[2-[(3,4-dimethoxyphenyl)methoxy]-3-fluorophenyl]methanol
CID 115956347
5-[(2,6-difluorophenoxy)methyl]-2-methoxybenzenecarbothioamide
CID 81264859
2-[(5-bromo-2-methoxyphenyl)methoxy]-1-(bromomethyl)-3-fluorobenzene
CID 115956804
[4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol
CID 62019697
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 2987070
[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 102974846
[3-[(2,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 62198124
[2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol
CID 115956147
[3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol
CID 62019338
[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]methanol
CID 107690498
3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propan-1-amine
CID 165355065

Frequently Asked Questions

What is the IUPAC name of [3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol?
The IUPAC name of [3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol (CID 81269477) is [3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol.
What is the SMILES notation for [3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol?
The canonical SMILES for [3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol is COc1ccc(CO)cc1COc1c(F)cccc1F.
What is the InChIKey of [3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol?
The InChIKey is BUPXWRGEWBNKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O3/c1-19-14-6-5-10(8-18)7-11(14)9-20-15-12(16)3-2-4-13(15)17/h2-7,18H,8-9H2,1H3.
What are the key properties of [3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol?
[3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol has a molecular weight of 280.27 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol is sourced from PubChem (CID 81269477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).