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

C18H21FO2 — CID 66059563

IUPAC2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol
SMILESCCC(CO)(Cc1ccc(OC)c(F)c1)c1ccccc1
InChIInChI=1S/C18H21FO2/c1-3-18(13-20,15-7-5-4-6-8-15)12-14-9-10-17(21-2)16(19)11-14/h4-11,20H,3,12-13H2,1-2H3
InChIKeySZICKBAJJFAXNZ-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.72
Rot. Bonds6

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

2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol (PubChem CID 66059563) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol
PubChem CID66059563
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol
SMILESCCC(CO)(Cc1ccc(OC)c(F)c1)c1ccccc1
InChIInChI=1S/C18H21FO2/c1-3-18(13-20,15-7-5-4-6-8-15)12-14-9-10-17(21-2)16(19)11-14/h4-11,20H,3,12-13H2,1-2H3
InChIKeySZICKBAJJFAXNZ-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-fluoro-1-methoxybenzene
CID 79446584
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol
CID 66058297
1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol
CID 65146578
2-benzyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 79008622
2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol
CID 66059989
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol
CID 66057665
4-chloro-1-(3-fluoro-4-methoxyphenyl)-2-phenylbutan-2-ol
CID 116696364
2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65147032
2-bromo-4-[2-(bromomethyl)-2-phenylbutyl]-1-methoxybenzene
CID 66049589
2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 106506240
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine
CID 62621995
2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine
CID 79008004

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol (CID 66059563) is 2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol is CCC(CO)(Cc1ccc(OC)c(F)c1)c1ccccc1.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol?
The InChIKey is SZICKBAJJFAXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2/c1-3-18(13-20,15-7-5-4-6-8-15)12-14-9-10-17(21-2)16(19)11-14/h4-11,20H,3,12-13H2,1-2H3.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol?
2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol has a molecular weight of 288.36 g/mol, XLogP of 3.72, 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]-2-phenylbutan-1-ol is sourced from PubChem (CID 66059563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).