5-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-1-yl)pentan-1-ol

C22H26O — CID 167404814

IUPAC5-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-1-yl)pentan-1-ol
SMILESOCCCCCc1cccc2c1CCCC(c1ccccc1)=C2
InChIInChI=1S/C22H26O/c23-16-6-2-5-11-19-12-7-14-21-17-20(13-8-15-22(19)21)18-9-3-1-4-10-18/h1,3-4,7,9-10,12,14,17,23H,2,5-6,8,11,13,15-16H2
InChIKeyJPAONRCOVWAZPA-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.27
Rot. Bonds6

About 5-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-1-yl)pentan-1-ol

5-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-1-yl)pentan-1-ol (PubChem CID 167404814) has the molecular formula C22H26O and a molecular weight of 306.45 g/mol. Its IUPAC name is 5-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-1-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-1-yl)pentan-1-ol
PubChem CID167404814
Molecular FormulaC22H26O
Molecular Weight306.45 g/mol
Exact Mass306.20
IUPAC Name5-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-1-yl)pentan-1-ol
SMILESOCCCCCc1cccc2c1CCCC(c1ccccc1)=C2
InChIInChI=1S/C22H26O/c23-16-6-2-5-11-19-12-7-14-21-17-20(13-8-15-22(19)21)18-9-3-1-4-10-18/h1,3-4,7,9-10,12,14,17,23H,2,5-6,8,11,13,15-16H2
InChIKeyJPAONRCOVWAZPA-UHFFFAOYSA-N
XLogP5.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-1-yl)pentan-1-ol?
The IUPAC name of 5-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-1-yl)pentan-1-ol (CID 167404814) is 5-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-1-yl)pentan-1-ol.
What is the SMILES notation for 5-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-1-yl)pentan-1-ol?
The canonical SMILES for 5-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-1-yl)pentan-1-ol is OCCCCCc1cccc2c1CCCC(c1ccccc1)=C2.
What is the InChIKey of 5-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-1-yl)pentan-1-ol?
The InChIKey is JPAONRCOVWAZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O/c23-16-6-2-5-11-19-12-7-14-21-17-20(13-8-15-22(19)21)18-9-3-1-4-10-18/h1,3-4,7,9-10,12,14,17,23H,2,5-6,8,11,13,15-16H2.
What are the key properties of 5-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-1-yl)pentan-1-ol?
5-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-1-yl)pentan-1-ol has a molecular weight of 306.45 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-1-yl)pentan-1-ol is sourced from PubChem (CID 167404814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).