(E)-1-phenyldodec-5-en-3-ol

C18H28O — CID 15370002

IUPAC(E)-1-phenyldodec-5-en-3-ol
SMILESCCCCCC/C=C/CC(O)CCc1ccccc1
InChIInChI=1S/C18H28O/c1-2-3-4-5-6-7-11-14-18(19)16-15-17-12-9-8-10-13-17/h7-13,18-19H,2-6,14-16H2,1H3/b11-7+
InChIKeyHWLVEDKDSXPGQA-YRNVUSSQSA-N
MW260.42 g/mol
LogP4.90
Rot. Bonds10

About (E)-1-phenyldodec-5-en-3-ol

(E)-1-phenyldodec-5-en-3-ol (PubChem CID 15370002) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is (E)-1-phenyldodec-5-en-3-ol.

Molecular Properties

Compound Name(E)-1-phenyldodec-5-en-3-ol
PubChem CID15370002
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name(E)-1-phenyldodec-5-en-3-ol
SMILESCCCCCC/C=C/CC(O)CCc1ccccc1
InChIInChI=1S/C18H28O/c1-2-3-4-5-6-7-11-14-18(19)16-15-17-12-9-8-10-13-17/h7-13,18-19H,2-6,14-16H2,1H3/b11-7+
InChIKeyHWLVEDKDSXPGQA-YRNVUSSQSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.90
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyldodec-5-en-3-ol?
The IUPAC name of (E)-1-phenyldodec-5-en-3-ol (CID 15370002) is (E)-1-phenyldodec-5-en-3-ol.
What is the SMILES notation for (E)-1-phenyldodec-5-en-3-ol?
The canonical SMILES for (E)-1-phenyldodec-5-en-3-ol is CCCCCC/C=C/CC(O)CCc1ccccc1.
What is the InChIKey of (E)-1-phenyldodec-5-en-3-ol?
The InChIKey is HWLVEDKDSXPGQA-YRNVUSSQSA-N. The full InChI is InChI=1S/C18H28O/c1-2-3-4-5-6-7-11-14-18(19)16-15-17-12-9-8-10-13-17/h7-13,18-19H,2-6,14-16H2,1H3/b11-7+.
What are the key properties of (E)-1-phenyldodec-5-en-3-ol?
(E)-1-phenyldodec-5-en-3-ol has a molecular weight of 260.42 g/mol, XLogP of 4.90, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyldodec-5-en-3-ol is sourced from PubChem (CID 15370002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).