1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol

C18H21FO2 — CID 65146578

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol
SMILESCCCC(O)(Cc1ccc(OC)c(F)c1)c1ccccc1
InChIInChI=1S/C18H21FO2/c1-3-11-18(20,15-7-5-4-6-8-15)13-14-9-10-17(21-2)16(19)12-14/h4-10,12,20H,3,11,13H2,1-2H3
InChIKeyXTGZPJJBMJREJT-UHFFFAOYSA-N
MW288.36 g/mol
LogP4.06
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol

1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol (PubChem CID 65146578) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol
PubChem CID65146578
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol
SMILESCCCC(O)(Cc1ccc(OC)c(F)c1)c1ccccc1
InChIInChI=1S/C18H21FO2/c1-3-11-18(20,15-7-5-4-6-8-15)13-14-9-10-17(21-2)16(19)12-14/h4-10,12,20H,3,11,13H2,1-2H3
InChIKeyXTGZPJJBMJREJT-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-(3-fluoro-4-methoxyphenyl)-2-phenylbutan-2-ol
CID 116696364
2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol
CID 66059563
4-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-fluoro-1-methoxybenzene
CID 79446584
1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol
CID 103465180
1-(4-methylphenyl)-2-phenylpentan-2-ol
CID 60797697
2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65147032
2-benzyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 79008622
1-(3-fluoro-4-methoxyphenyl)-2-(2-methylphenyl)propan-2-ol
CID 65144733
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol
CID 66058297
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65146874
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol
CID 66057665
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine
CID 62621995

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol (CID 65146578) is 1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol is CCCC(O)(Cc1ccc(OC)c(F)c1)c1ccccc1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol?
The InChIKey is XTGZPJJBMJREJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2/c1-3-11-18(20,15-7-5-4-6-8-15)13-14-9-10-17(21-2)16(19)12-14/h4-10,12,20H,3,11,13H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol?
1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol has a molecular weight of 288.36 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol is sourced from PubChem (CID 65146578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).