1-phenyloct-1-en-3-ol

C14H20O — CID 54157030

IUPAC1-phenyloct-1-en-3-ol
SMILESCCCCCC(O)C=Cc1ccccc1
InChIInChI=1S/C14H20O/c1-2-3-5-10-14(15)12-11-13-8-6-4-7-9-13/h4,6-9,11-12,14-15H,2-3,5,10H2,1H3
InChIKeyOLUJUQKZMDLFII-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.64
Rot. Bonds6

About 1-phenyloct-1-en-3-ol

1-phenyloct-1-en-3-ol (PubChem CID 54157030) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-phenyloct-1-en-3-ol.

Molecular Properties

Compound Name1-phenyloct-1-en-3-ol
PubChem CID54157030
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-phenyloct-1-en-3-ol
SMILESCCCCCC(O)C=Cc1ccccc1
InChIInChI=1S/C14H20O/c1-2-3-5-10-14(15)12-11-13-8-6-4-7-9-13/h4,6-9,11-12,14-15H,2-3,5,10H2,1H3
InChIKeyOLUJUQKZMDLFII-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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Frequently Asked Questions

What is the IUPAC name of 1-phenyloct-1-en-3-ol?
The IUPAC name of 1-phenyloct-1-en-3-ol (CID 54157030) is 1-phenyloct-1-en-3-ol.
What is the SMILES notation for 1-phenyloct-1-en-3-ol?
The canonical SMILES for 1-phenyloct-1-en-3-ol is CCCCCC(O)C=Cc1ccccc1.
What is the InChIKey of 1-phenyloct-1-en-3-ol?
The InChIKey is OLUJUQKZMDLFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-2-3-5-10-14(15)12-11-13-8-6-4-7-9-13/h4,6-9,11-12,14-15H,2-3,5,10H2,1H3.
What are the key properties of 1-phenyloct-1-en-3-ol?
1-phenyloct-1-en-3-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 1-phenyloct-1-en-3-ol is sourced from PubChem (CID 54157030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).