1-(3-bromo-4-chlorophenyl)undecan-1-ol

C17H26BrClO — CID 115566565

IUPAC1-(3-bromo-4-chlorophenyl)undecan-1-ol
SMILESCCCCCCCCCCC(O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C17H26BrClO/c1-2-3-4-5-6-7-8-9-10-17(20)14-11-12-16(19)15(18)13-14/h11-13,17,20H,2-10H2,1H3
InChIKeyRWVYNAUZFASSSE-UHFFFAOYSA-N
MW361.75 g/mol
LogP6.67
Rot. Bonds10

About 1-(3-bromo-4-chlorophenyl)undecan-1-ol

1-(3-bromo-4-chlorophenyl)undecan-1-ol (PubChem CID 115566565) has the molecular formula C17H26BrClO and a molecular weight of 361.75 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)undecan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)undecan-1-ol
PubChem CID115566565
Molecular FormulaC17H26BrClO
Molecular Weight361.75 g/mol
Exact Mass360.09
IUPAC Name1-(3-bromo-4-chlorophenyl)undecan-1-ol
SMILESCCCCCCCCCCC(O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C17H26BrClO/c1-2-3-4-5-6-7-8-9-10-17(20)14-11-12-16(19)15(18)13-14/h11-13,17,20H,2-10H2,1H3
InChIKeyRWVYNAUZFASSSE-UHFFFAOYSA-N
XLogP6.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.75
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-4-chlorophenyl)octan-1-amine
CID 115566673
1-(3-bromo-4-chlorophenyl)heptan-1-amine
CID 115566954
1-(4-chloro-3-methylphenyl)nonan-1-ol
CID 115784046
1-(3-bromo-4-methylphenyl)octan-1-ol
CID 115783206
(1S)-1-(3-bromo-4-chlorophenyl)hexan-1-amine;hydrochloride
CID 171222559
1-(4-chloro-3-methylphenyl)hexan-1-ol
CID 115784456
1-(3-bromo-4-chlorophenyl)-N-ethyloctan-1-amine
CID 115567420
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958
1-(4-chloro-3-methoxyphenyl)octan-1-ol
CID 79697126
1-(3-bromo-4-chlorophenyl)-N-methylhexan-1-amine
CID 115567316
1-(4-bromo-3-fluorophenyl)nonan-1-ol
CID 81436906
1-(3-chloro-4-fluorophenyl)nonan-1-ol
CID 63414052

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)undecan-1-ol?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)undecan-1-ol (CID 115566565) is 1-(3-bromo-4-chlorophenyl)undecan-1-ol.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)undecan-1-ol?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)undecan-1-ol is CCCCCCCCCCC(O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)undecan-1-ol?
The InChIKey is RWVYNAUZFASSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrClO/c1-2-3-4-5-6-7-8-9-10-17(20)14-11-12-16(19)15(18)13-14/h11-13,17,20H,2-10H2,1H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)undecan-1-ol?
1-(3-bromo-4-chlorophenyl)undecan-1-ol has a molecular weight of 361.75 g/mol, XLogP of 6.67, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)undecan-1-ol is sourced from PubChem (CID 115566565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).