(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol

C16H17ClO — CID 93325474

IUPAC(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol
SMILESCC[C@](O)(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H17ClO/c1-2-16(18,14-6-4-3-5-7-14)12-13-8-10-15(17)11-9-13/h3-11,18H,2,12H2,1H3/t16-/m0/s1
InChIKeyYOFUNRDLCZXMJU-INIZCTEOSA-N
MW260.76 g/mol
LogP4.18
Rot. Bonds4

About (2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol

(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol (PubChem CID 93325474) has the molecular formula C16H17ClO and a molecular weight of 260.76 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol
PubChem CID93325474
Molecular FormulaC16H17ClO
Molecular Weight260.76 g/mol
Exact Mass260.10
IUPAC Name(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol
SMILESCC[C@](O)(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H17ClO/c1-2-16(18,14-6-4-3-5-7-14)12-13-8-10-15(17)11-9-13/h3-11,18H,2,12H2,1H3/t16-/m0/s1
InChIKeyYOFUNRDLCZXMJU-INIZCTEOSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-difluorophenyl)-1-phenylbutan-2-ol
CID 79008246
2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 79008309
2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine
CID 55106585
2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 65146789
1-(4-methylphenyl)-2-phenylpentan-2-ol
CID 60797697
1-amino-3-phenylpentan-3-ol
CID 79006155
1-(4-bromophenyl)-2-phenylpentan-2-ol
CID 60797698
(2S)-1-bromo-2-phenylbutan-2-ol
CID 101213758
1-(3-chloro-4-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol
CID 103465196
1-chloro-4-(2-methoxy-2-phenylpropyl)benzene
CID 132540002
1,2-diphenylheptan-2-ol
CID 139785734
2-(2,6-difluoro-3-methylphenyl)-1-phenylbutan-2-ol
CID 82819467

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol?
The IUPAC name of (2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol (CID 93325474) is (2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol?
The canonical SMILES for (2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol is CC[C@](O)(Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol?
The InChIKey is YOFUNRDLCZXMJU-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17ClO/c1-2-16(18,14-6-4-3-5-7-14)12-13-8-10-15(17)11-9-13/h3-11,18H,2,12H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol?
(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol has a molecular weight of 260.76 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol is sourced from PubChem (CID 93325474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).