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

C16H16Cl2O — CID 65149130

IUPAC1-(3,4-dichlorophenyl)-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)C(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2O/c1-11(13-5-3-2-4-6-13)16(19)10-12-7-8-14(17)15(18)9-12/h2-9,11,16,19H,10H2,1H3
InChIKeyPIUJFAFNOCKENE-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.70
Rot. Bonds4

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

1-(3,4-dichlorophenyl)-3-phenylbutan-2-ol (PubChem CID 65149130) has the molecular formula C16H16Cl2O and a molecular weight of 295.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-phenylbutan-2-ol
PubChem CID65149130
Molecular FormulaC16H16Cl2O
Molecular Weight295.21 g/mol
Exact Mass294.06
IUPAC Name1-(3,4-dichlorophenyl)-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)C(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2O/c1-11(13-5-3-2-4-6-13)16(19)10-12-7-8-14(17)15(18)9-12/h2-9,11,16,19H,10H2,1H3
InChIKeyPIUJFAFNOCKENE-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-iodophenyl)-3-phenylbutan-2-ol
CID 65477457
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63428543
[2-(3,4-dichlorophenyl)-1-phenylethyl]hydrazine
CID 105199186
1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine
CID 115843392
N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine
CID 63413061
2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502712
(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium
CID 7394464
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol
CID 2978838
2-[(3,4-dichlorophenyl)methyl]propanedioic acid
CID 69044923
1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol
CID 63410727
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride
CID 2978837

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-phenylbutan-2-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-phenylbutan-2-ol (CID 65149130) is 1-(3,4-dichlorophenyl)-3-phenylbutan-2-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-phenylbutan-2-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-phenylbutan-2-ol is CC(c1ccccc1)C(O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-phenylbutan-2-ol?
The InChIKey is PIUJFAFNOCKENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O/c1-11(13-5-3-2-4-6-13)16(19)10-12-7-8-14(17)15(18)9-12/h2-9,11,16,19H,10H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-phenylbutan-2-ol?
1-(3,4-dichlorophenyl)-3-phenylbutan-2-ol has a molecular weight of 295.21 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-phenylbutan-2-ol is sourced from PubChem (CID 65149130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).