5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

C20H24O — CID 63406667

IUPAC5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCCCc1ccc(C2(O)CCCCc3ccccc32)cc1
InChIInChI=1S/C20H24O/c1-2-7-16-11-13-18(14-12-16)20(21)15-6-5-9-17-8-3-4-10-19(17)20/h3-4,8,10-14,21H,2,5-7,9,15H2,1H3
InChIKeyRVQMYCKOMLQDCF-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.60
Rot. Bonds3

About 5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 63406667) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID63406667
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCCCc1ccc(C2(O)CCCCc3ccccc32)cc1
InChIInChI=1S/C20H24O/c1-2-7-16-11-13-18(14-12-16)20(21)15-6-5-9-17-8-3-4-10-19(17)20/h3-4,8,10-14,21H,2,5-7,9,15H2,1H3
InChIKeyRVQMYCKOMLQDCF-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 63406667) is 5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is CCCc1ccc(C2(O)CCCCc3ccccc32)cc1.
What is the InChIKey of 5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is RVQMYCKOMLQDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-2-7-16-11-13-18(14-12-16)20(21)15-6-5-9-17-8-3-4-10-19(17)20/h3-4,8,10-14,21H,2,5-7,9,15H2,1H3.
What are the key properties of 5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 280.41 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 63406667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).