[2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol

C16H17FO3 — CID 115956147

IUPAC[2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol
SMILESCOc1ccc(COc2c(C)cccc2CO)cc1F
InChIInChI=1S/C16H17FO3/c1-11-4-3-5-13(9-18)16(11)20-10-12-6-7-15(19-2)14(17)8-12/h3-8,18H,9-10H2,1-2H3
InChIKeyIXZRBQRTPBLWDR-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.21
Rot. Bonds5

About [2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol

[2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol (PubChem CID 115956147) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is [2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol.

Molecular Properties

Compound Name[2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol
PubChem CID115956147
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name[2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol
SMILESCOc1ccc(COc2c(C)cccc2CO)cc1F
InChIInChI=1S/C16H17FO3/c1-11-4-3-5-13(9-18)16(11)20-10-12-6-7-15(19-2)14(17)8-12/h3-8,18H,9-10H2,1-2H3
InChIKeyIXZRBQRTPBLWDR-UHFFFAOYSA-N
XLogP3.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3,4-dimethoxyphenyl)methoxy]-3-fluorophenyl]methanol
CID 115956347
2-fluoro-5-[[2-(hydroxymethyl)-6-methylphenoxy]methyl]benzonitrile
CID 107882453
1-(bromomethyl)-2-[(3,4-dimethoxyphenyl)methoxy]-3-methylbenzene
CID 115956901
[3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 115951940
2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene
CID 115956472
2-fluoro-1-methoxy-4-[(3-methylphenoxy)methyl]benzene
CID 60627922
[3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol
CID 81269477
[3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 112612722
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 2987070
2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66059093

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol?
The IUPAC name of [2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol (CID 115956147) is [2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol.
What is the SMILES notation for [2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol?
The canonical SMILES for [2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol is COc1ccc(COc2c(C)cccc2CO)cc1F.
What is the InChIKey of [2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol?
The InChIKey is IXZRBQRTPBLWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-11-4-3-5-13(9-18)16(11)20-10-12-6-7-15(19-2)14(17)8-12/h3-8,18H,9-10H2,1-2H3.
What are the key properties of [2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol?
[2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol has a molecular weight of 276.31 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol is sourced from PubChem (CID 115956147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).