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

C16H16Cl2O — CID 55197519

IUPAC1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol
SMILESCCC(c1ccccc1)C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2O/c1-2-13(11-6-4-3-5-7-11)16(19)12-8-9-14(17)15(18)10-12/h3-10,13,16,19H,2H2,1H3
InChIKeyRQRHAEUHOIERQG-UHFFFAOYSA-N
MW295.21 g/mol
LogP5.22
Rot. Bonds4

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

1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol (PubChem CID 55197519) has the molecular formula C16H16Cl2O and a molecular weight of 295.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol
PubChem CID55197519
Molecular FormulaC16H16Cl2O
Molecular Weight295.21 g/mol
Exact Mass294.06
IUPAC Name1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol
SMILESCCC(c1ccccc1)C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2O/c1-2-13(11-6-4-3-5-7-11)16(19)12-8-9-14(17)15(18)10-12/h3-10,13,16,19H,2H2,1H3
InChIKeyRQRHAEUHOIERQG-UHFFFAOYSA-N
XLogP5.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.21
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-ol
CID 107562241
(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol
CID 140978275
1-(2-chlorophenyl)-2-phenylbutan-1-ol
CID 114980516
1-(3,4-dichlorophenyl)-3-ethylpentane-1,2-diol
CID 103459672
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol
CID 61082848
1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-ol
CID 115798873
[(2S,3R)-2-(3,4-dichlorophenyl)-3-hydroxy-3-phenylpropyl]carbamic acid
CID 118675734
1-(3,4-dichlorophenyl)-3-methylbutane-1,2-diol
CID 103456454
(1R,2S)-2-(3,4-dichlorophenyl)-1-(3-methylsulfanylphenyl)pentan-1-ol
CID 146772991
4-(1-bromo-3-methyl-2-phenylpentyl)-1,2-dichlorobenzene
CID 63445108
1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine
CID 115843392

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol (CID 55197519) is 1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol is CCC(c1ccccc1)C(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol?
The InChIKey is RQRHAEUHOIERQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O/c1-2-13(11-6-4-3-5-7-11)16(19)12-8-9-14(17)15(18)10-12/h3-10,13,16,19H,2H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol?
1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol has a molecular weight of 295.21 g/mol, XLogP of 5.22, 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)-2-phenylbutan-1-ol is sourced from PubChem (CID 55197519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).