1-(3-bromophenyl)-4-methylidenehexan-2-ol

C13H17BrO — CID 66045073

IUPAC1-(3-bromophenyl)-4-methylidenehexan-2-ol
SMILESC=C(CC)CC(O)Cc1cccc(Br)c1
InChIInChI=1S/C13H17BrO/c1-3-10(2)7-13(15)9-11-5-4-6-12(14)8-11/h4-6,8,13,15H,2-3,7,9H2,1H3
InChIKeyYSQZOJAWRXHCSD-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.71
Rot. Bonds5

About 1-(3-bromophenyl)-4-methylidenehexan-2-ol

1-(3-bromophenyl)-4-methylidenehexan-2-ol (PubChem CID 66045073) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-methylidenehexan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-methylidenehexan-2-ol
PubChem CID66045073
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1-(3-bromophenyl)-4-methylidenehexan-2-ol
SMILESC=C(CC)CC(O)Cc1cccc(Br)c1
InChIInChI=1S/C13H17BrO/c1-3-10(2)7-13(15)9-11-5-4-6-12(14)8-11/h4-6,8,13,15H,2-3,7,9H2,1H3
InChIKeyYSQZOJAWRXHCSD-UHFFFAOYSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-bromophenyl)-4-methylidenehexan-2-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

1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66047440
1-(3-bromophenyl)-3-methylidenepentan-1-ol
CID 66044340
1-(3-bromophenyl)-4-ethylhexan-2-ol
CID 82919634
1-(3-bromophenyl)-4,4-dimethylpentan-2-ol
CID 63015862
1-(3-bromophenyl)octan-2-ol
CID 63411241
1-(3-bromophenyl)-4-ethoxybutan-2-ol
CID 62607821
N-[(3-bromophenyl)methyl]-2-methylidenebutan-1-amine
CID 66045461
1-(3-bromophenyl)-5-methylsulfanylpentan-2-ol
CID 103089773
5-(3-bromophenyl)-4-methylpentan-2-ol
CID 64719451
1-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62800030
1-(3-bromophenyl)-N,3-dimethylbut-3-en-2-amine
CID 79189739
1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62608406

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-methylidenehexan-2-ol?
The IUPAC name of 1-(3-bromophenyl)-4-methylidenehexan-2-ol (CID 66045073) is 1-(3-bromophenyl)-4-methylidenehexan-2-ol.
What is the SMILES notation for 1-(3-bromophenyl)-4-methylidenehexan-2-ol?
The canonical SMILES for 1-(3-bromophenyl)-4-methylidenehexan-2-ol is C=C(CC)CC(O)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-4-methylidenehexan-2-ol?
The InChIKey is YSQZOJAWRXHCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c1-3-10(2)7-13(15)9-11-5-4-6-12(14)8-11/h4-6,8,13,15H,2-3,7,9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-4-methylidenehexan-2-ol?
1-(3-bromophenyl)-4-methylidenehexan-2-ol has a molecular weight of 269.18 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-methylidenehexan-2-ol is sourced from PubChem (CID 66045073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).