2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol

C18H21FO2 — CID 66059093

IUPAC2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol
SMILESCOc1ccc(CC(CO)Cc2ccccc2C)cc1F
InChIInChI=1S/C18H21FO2/c1-13-5-3-4-6-16(13)10-15(12-20)9-14-7-8-18(21-2)17(19)11-14/h3-8,11,15,20H,9-10,12H2,1-2H3
InChIKeyYBKLUCNWQOTVIJ-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.54
Rot. Bonds6

About 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol

2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol (PubChem CID 66059093) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol
PubChem CID66059093
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol
SMILESCOc1ccc(CC(CO)Cc2ccccc2C)cc1F
InChIInChI=1S/C18H21FO2/c1-13-5-3-4-6-16(13)10-15(12-20)9-14-7-8-18(21-2)17(19)11-14/h3-8,11,15,20H,9-10,12H2,1-2H3
InChIKeyYBKLUCNWQOTVIJ-UHFFFAOYSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-difluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol
CID 66058898
3-(3-fluoro-4-methoxyphenyl)-2-phenylpropan-1-ol
CID 66059844
2-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)ethanamine
CID 62602782
2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 114934852
4-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,2-difluorobenzene
CID 82935081
2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060157
1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 115782389
2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol
CID 102621217
[2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol
CID 115956147
1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol
CID 62608783
2-benzyl-3-(3-bromo-4-methoxyphenyl)propan-1-ol
CID 66057473
2-[(3-chlorophenyl)methyl]-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375957

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol (CID 66059093) is 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol is COc1ccc(CC(CO)Cc2ccccc2C)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol?
The InChIKey is YBKLUCNWQOTVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2/c1-13-5-3-4-6-16(13)10-15(12-20)9-14-7-8-18(21-2)17(19)11-14/h3-8,11,15,20H,9-10,12H2,1-2H3.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol?
2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol has a molecular weight of 288.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 66059093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).