2-(3,4-difluorophenyl)-1-phenylbutan-2-ol

C16H16F2O — CID 79008246

IUPAC2-(3,4-difluorophenyl)-1-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2O/c1-2-16(19,11-12-6-4-3-5-7-12)13-8-9-14(17)15(18)10-13/h3-10,19H,2,11H2,1H3
InChIKeyHCKUGTGQPCXXRU-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.81
Rot. Bonds4

About 2-(3,4-difluorophenyl)-1-phenylbutan-2-ol

2-(3,4-difluorophenyl)-1-phenylbutan-2-ol (PubChem CID 79008246) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-phenylbutan-2-ol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-phenylbutan-2-ol
PubChem CID79008246
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name2-(3,4-difluorophenyl)-1-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2O/c1-2-16(19,11-12-6-4-3-5-7-12)13-8-9-14(17)15(18)10-13/h3-10,19H,2,11H2,1H3
InChIKeyHCKUGTGQPCXXRU-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol
CID 93325474
2-(2,6-difluoro-3-methylphenyl)-1-phenylbutan-2-ol
CID 82819467
2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 79008309
1,2-bis(3-fluorophenyl)butan-2-ol
CID 114872358
2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 65146789
2-benzyl-1-(3,4-difluorophenyl)butan-2-amine
CID 82920189
3-(4-chloro-3-fluorophenyl)pentan-3-ol
CID 91656809
2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol
CID 79007571
2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine
CID 79007872
2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol
CID 82769735
3-(3,4-difluorophenyl)-2-methylpentan-3-ol
CID 62802686
1-(2-fluorophenyl)-1,2-diphenylethanol
CID 66572227

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-phenylbutan-2-ol?
The IUPAC name of 2-(3,4-difluorophenyl)-1-phenylbutan-2-ol (CID 79008246) is 2-(3,4-difluorophenyl)-1-phenylbutan-2-ol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-phenylbutan-2-ol?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-phenylbutan-2-ol is CCC(O)(Cc1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-phenylbutan-2-ol?
The InChIKey is HCKUGTGQPCXXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c1-2-16(19,11-12-6-4-3-5-7-12)13-8-9-14(17)15(18)10-13/h3-10,19H,2,11H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-phenylbutan-2-ol?
2-(3,4-difluorophenyl)-1-phenylbutan-2-ol has a molecular weight of 262.30 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-phenylbutan-2-ol is sourced from PubChem (CID 79008246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).