1-(4-bromophenyl)-8-methylnon-7-en-2-ol

C16H23BrO — CID 72713229

IUPAC1-(4-bromophenyl)-8-methylnon-7-en-2-ol
SMILESCC(C)=CCCCCC(O)Cc1ccc(Br)cc1
InChIInChI=1S/C16H23BrO/c1-13(2)6-4-3-5-7-16(18)12-14-8-10-15(17)11-9-14/h6,8-11,16,18H,3-5,7,12H2,1-2H3
InChIKeyIYJFERBQUPNZFT-UHFFFAOYSA-N
MW311.26 g/mol
LogP4.88
Rot. Bonds7

About 1-(4-bromophenyl)-8-methylnon-7-en-2-ol

1-(4-bromophenyl)-8-methylnon-7-en-2-ol (PubChem CID 72713229) has the molecular formula C16H23BrO and a molecular weight of 311.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-8-methylnon-7-en-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-8-methylnon-7-en-2-ol
PubChem CID72713229
Molecular FormulaC16H23BrO
Molecular Weight311.26 g/mol
Exact Mass310.09
IUPAC Name1-(4-bromophenyl)-8-methylnon-7-en-2-ol
SMILESCC(C)=CCCCCC(O)Cc1ccc(Br)cc1
InChIInChI=1S/C16H23BrO/c1-13(2)6-4-3-5-7-16(18)12-14-8-10-15(17)11-9-14/h6,8-11,16,18H,3-5,7,12H2,1-2H3
InChIKeyIYJFERBQUPNZFT-UHFFFAOYSA-N
XLogP4.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)-8-methylnon-7-en-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-(4-bromophenyl)-5-methoxypentan-2-ol
CID 62608729
1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol
CID 115346011
1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 63015995
2-(4-bromophenyl)ethane-1,1-diol
CID 54153595
1-(4-methylphenyl)octan-2-ol
CID 62607878
2-(4-bromophenyl)-1-fluoroethanol
CID 163366125
1-(3-bromophenyl)octan-2-ol
CID 63411241
1-(4-bromophenyl)-3,3-dimethylbutan-2-ol
CID 60798446
1-(4-bromophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 105077459
(3R)-2,9-dimethyldec-8-ene-2,3-diol
CID 134855668
1-(4-bromoanilino)-3-(4-methylphenyl)propan-2-ol
CID 53486765
1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol
CID 105077414

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-8-methylnon-7-en-2-ol?
The IUPAC name of 1-(4-bromophenyl)-8-methylnon-7-en-2-ol (CID 72713229) is 1-(4-bromophenyl)-8-methylnon-7-en-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)-8-methylnon-7-en-2-ol?
The canonical SMILES for 1-(4-bromophenyl)-8-methylnon-7-en-2-ol is CC(C)=CCCCCC(O)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-8-methylnon-7-en-2-ol?
The InChIKey is IYJFERBQUPNZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO/c1-13(2)6-4-3-5-7-16(18)12-14-8-10-15(17)11-9-14/h6,8-11,16,18H,3-5,7,12H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-8-methylnon-7-en-2-ol?
1-(4-bromophenyl)-8-methylnon-7-en-2-ol has a molecular weight of 311.26 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-8-methylnon-7-en-2-ol is sourced from PubChem (CID 72713229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).