2-(4-fluorophenyl)-4-phenylbutan-2-ol

C16H17FO — CID 54919518

IUPAC2-(4-fluorophenyl)-4-phenylbutan-2-ol
SMILESCC(O)(CCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FO/c1-16(18,14-7-9-15(17)10-8-14)12-11-13-5-3-2-4-6-13/h2-10,18H,11-12H2,1H3
InChIKeyDTMQQNANDGRGGB-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.67
Rot. Bonds4

About 2-(4-fluorophenyl)-4-phenylbutan-2-ol

2-(4-fluorophenyl)-4-phenylbutan-2-ol (PubChem CID 54919518) has the molecular formula C16H17FO and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-phenylbutan-2-ol
PubChem CID54919518
Molecular FormulaC16H17FO
Molecular Weight244.31 g/mol
Exact Mass244.13
IUPAC Name2-(4-fluorophenyl)-4-phenylbutan-2-ol
SMILESCC(O)(CCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FO/c1-16(18,14-7-9-15(17)10-8-14)12-11-13-5-3-2-4-6-13/h2-10,18H,11-12H2,1H3
InChIKeyDTMQQNANDGRGGB-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-hydroxy-4-phenylbutan-2-yl)benzonitrile
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1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene
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(2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol
CID 175022996
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine
CID 64768756
2-hydroxy-2-methyl-4-phenylbutanal
CID 10241365
2-(4-fluorophenyl)-2-methyl-N-(2-phenylethyl)propanamide
CID 113197365
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
2-(4-fluorophenyl)-6-methylheptan-2-ol
CID 83158726
4-[2-(4-hydroxyphenyl)-4-phenylbutan-2-yl]phenol
CID 14250443
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65144980
CID 71187563
CID 71187563

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-phenylbutan-2-ol?
The IUPAC name of 2-(4-fluorophenyl)-4-phenylbutan-2-ol (CID 54919518) is 2-(4-fluorophenyl)-4-phenylbutan-2-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-4-phenylbutan-2-ol?
The canonical SMILES for 2-(4-fluorophenyl)-4-phenylbutan-2-ol is CC(O)(CCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-phenylbutan-2-ol?
The InChIKey is DTMQQNANDGRGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO/c1-16(18,14-7-9-15(17)10-8-14)12-11-13-5-3-2-4-6-13/h2-10,18H,11-12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-phenylbutan-2-ol?
2-(4-fluorophenyl)-4-phenylbutan-2-ol has a molecular weight of 244.31 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-phenylbutan-2-ol is sourced from PubChem (CID 54919518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).