4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol

C16H16Cl2O — CID 64513522

IUPAC4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol
SMILESOC(CCCc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2O/c17-14-9-5-10-15(18)13(14)8-4-11-16(19)12-6-2-1-3-7-12/h1-3,5-7,9-10,16,19H,4,8,11H2
InChIKeyAKTLWWSMJCGZLE-UHFFFAOYSA-N
MW295.21 g/mol
LogP5.05
Rot. Bonds5

About 4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol

4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol (PubChem CID 64513522) has the molecular formula C16H16Cl2O and a molecular weight of 295.21 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol
PubChem CID64513522
Molecular FormulaC16H16Cl2O
Molecular Weight295.21 g/mol
Exact Mass294.06
IUPAC Name4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol
SMILESOC(CCCc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2O/c17-14-9-5-10-15(18)13(14)8-4-11-16(19)12-6-2-1-3-7-12/h1-3,5-7,9-10,16,19H,4,8,11H2
InChIKeyAKTLWWSMJCGZLE-UHFFFAOYSA-N
XLogP5.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.21
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol
CID 114860116
4-(4-chloro-3-fluorophenyl)-1-phenylbutan-1-ol
CID 107888245
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
5-chloro-1-phenylpentan-1-ol
CID 14449235
1,3-dichloro-2-(4-chlorohexyl)benzene
CID 64506411
2-(4-bromopentyl)-1,3-dichlorobenzene
CID 64509594
(2,6-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium
CID 6938206
6-chloro-1-phenylhexan-1-ol
CID 10398289
(1S)-1-phenylpentan-1-ol
CID 6992754
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
1-(2-chlorophenyl)-4-phenylbutan-1-ol
CID 62607678
1,4,4-triphenylbutan-1-ol
CID 141326006

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol?
The IUPAC name of 4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol (CID 64513522) is 4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol?
The canonical SMILES for 4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol is OC(CCCc1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of 4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol?
The InChIKey is AKTLWWSMJCGZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O/c17-14-9-5-10-15(18)13(14)8-4-11-16(19)12-6-2-1-3-7-12/h1-3,5-7,9-10,16,19H,4,8,11H2.
What are the key properties of 4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol?
4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol has a molecular weight of 295.21 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol is sourced from PubChem (CID 64513522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).