2-benzylideneheptan-1-ol

C14H20O — CID 7584

IUPAC2-benzylideneheptan-1-ol
SMILESCCCCCC(=Cc1ccccc1)CO
InChIInChI=1S/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3
InChIKeyLIPHCKNQPJXUQF-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.64
Rot. Bonds6

About 2-benzylideneheptan-1-ol

2-benzylideneheptan-1-ol (PubChem CID 7584) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-benzylideneheptan-1-ol.

Molecular Properties

Compound Name2-benzylideneheptan-1-ol
PubChem CID7584
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-benzylideneheptan-1-ol
SMILESCCCCCC(=Cc1ccccc1)CO
InChIInChI=1S/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3
InChIKeyLIPHCKNQPJXUQF-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.64
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

Benzyl Alcohol
CID 244
2-Phenylethanol
CID 6054
Cinnamyl Alcohol
CID 5315892
1-Phenylethanol
CID 7409
Cuminol
CID 325
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
4-Methylbenzyl alcohol
CID 11505
Benzenepropanol
CID 31234
1-Phenyl-3-methyl-3-pentanol
CID 61516
2-Methyl-4-phenyl-2-butanol
CID 7632
1-Phenyl-1,2-ethanediol
CID 7149

Frequently Asked Questions

What is the IUPAC name of 2-benzylideneheptan-1-ol?
The IUPAC name of 2-benzylideneheptan-1-ol (CID 7584) is 2-benzylideneheptan-1-ol.
What is the SMILES notation for 2-benzylideneheptan-1-ol?
The canonical SMILES for 2-benzylideneheptan-1-ol is CCCCCC(=Cc1ccccc1)CO.
What is the InChIKey of 2-benzylideneheptan-1-ol?
The InChIKey is LIPHCKNQPJXUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3.
What are the key properties of 2-benzylideneheptan-1-ol?
2-benzylideneheptan-1-ol has a molecular weight of 204.31 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylideneheptan-1-ol is sourced from PubChem (CID 7584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).