1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol

C17H19FO2 — CID 105121012

IUPAC1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol
SMILESCOc1cccc(C(O)CCc2cccc(C)c2)c1F
InChIInChI=1S/C17H19FO2/c1-12-5-3-6-13(11-12)9-10-15(19)14-7-4-8-16(20-2)17(14)18/h3-8,11,15,19H,9-10H2,1-2H3
InChIKeyRKOVMUQOYDWFHM-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.81
Rot. Bonds5

About 1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol

1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol (PubChem CID 105121012) has the molecular formula C17H19FO2 and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol
PubChem CID105121012
Molecular FormulaC17H19FO2
Molecular Weight274.34 g/mol
Exact Mass274.14
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol
SMILESCOc1cccc(C(O)CCc2cccc(C)c2)c1F
InChIInChI=1S/C17H19FO2/c1-12-5-3-6-13(11-12)9-10-15(19)14-7-4-8-16(20-2)17(14)18/h3-8,11,15,19H,9-10H2,1-2H3
InChIKeyRKOVMUQOYDWFHM-UHFFFAOYSA-N
XLogP3.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol
CID 105093937
1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol
CID 82808505
1-(2-chloro-5-fluorophenyl)-3-(3-methylphenyl)propan-1-ol
CID 105397604
1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol
CID 114979028
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315352
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-2-one
CID 104793404
[1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propyl]hydrazine
CID 105329271
2-(4-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82807893
1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol
CID 105096422
1-(2-methoxy-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105144092
1-(3-methoxypyrazin-2-yl)-3-(3-methylphenyl)propan-1-ol
CID 105124030

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol (CID 105121012) is 1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol is COc1cccc(C(O)CCc2cccc(C)c2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol?
The InChIKey is RKOVMUQOYDWFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c1-12-5-3-6-13(11-12)9-10-15(19)14-7-4-8-16(20-2)17(14)18/h3-8,11,15,19H,9-10H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol?
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol has a molecular weight of 274.34 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 105121012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).