(1S)-1-(4-bromophenyl)octan-1-ol

C14H21BrO — CID 124554353

IUPAC(1S)-1-(4-bromophenyl)octan-1-ol
SMILESCCCCCCC[C@H](O)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrO/c1-2-3-4-5-6-7-14(16)12-8-10-13(15)11-9-12/h8-11,14,16H,2-7H2,1H3/t14-/m0/s1
InChIKeyMUZFFRNVLQDPDE-AWEZNQCLSA-N
MW285.22 g/mol
LogP4.84
Rot. Bonds7

About (1S)-1-(4-bromophenyl)octan-1-ol

(1S)-1-(4-bromophenyl)octan-1-ol (PubChem CID 124554353) has the molecular formula C14H21BrO and a molecular weight of 285.22 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)octan-1-ol.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)octan-1-ol
PubChem CID124554353
Molecular FormulaC14H21BrO
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name(1S)-1-(4-bromophenyl)octan-1-ol
SMILESCCCCCCC[C@H](O)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrO/c1-2-3-4-5-6-7-14(16)12-8-10-13(15)11-9-12/h8-11,14,16H,2-7H2,1H3/t14-/m0/s1
InChIKeyMUZFFRNVLQDPDE-AWEZNQCLSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S)-1-(4-bromophenyl)octan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(4-bromophenyl)hexan-1-ol
CID 57438971
(1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one
CID 159543054
4-(1-hydroxytridecyl)phenol
CID 57120972
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
(1R)-1-phenyloctan-1-ol
CID 12794259
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
1-bromo-4-(1-bromodecan-2-yl)benzene
CID 79434996
1-(3-bromo-4-methylphenyl)octan-1-ol
CID 115783206
1-pyridin-4-yltridecan-1-ol
CID 63410309
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)octan-1-ol?
The IUPAC name of (1S)-1-(4-bromophenyl)octan-1-ol (CID 124554353) is (1S)-1-(4-bromophenyl)octan-1-ol.
What is the SMILES notation for (1S)-1-(4-bromophenyl)octan-1-ol?
The canonical SMILES for (1S)-1-(4-bromophenyl)octan-1-ol is CCCCCCC[C@H](O)c1ccc(Br)cc1.
What is the InChIKey of (1S)-1-(4-bromophenyl)octan-1-ol?
The InChIKey is MUZFFRNVLQDPDE-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21BrO/c1-2-3-4-5-6-7-14(16)12-8-10-13(15)11-9-12/h8-11,14,16H,2-7H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-(4-bromophenyl)octan-1-ol?
(1S)-1-(4-bromophenyl)octan-1-ol has a molecular weight of 285.22 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromophenyl)octan-1-ol is sourced from PubChem (CID 124554353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).