6-ethenyl-6-(4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol

C19H20O2 — CID 25264851

IUPAC6-ethenyl-6-(4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol
SMILESC=CC1(c2ccc(O)cc2)CCCc2cc(O)ccc2C1
InChIInChI=1S/C19H20O2/c1-2-19(16-6-9-17(20)10-7-16)11-3-4-14-12-18(21)8-5-15(14)13-19/h2,5-10,12,20-21H,1,3-4,11,13H2
InChIKeyKTFYUZLSCBFDNK-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.10
Rot. Bonds2

About 6-ethenyl-6-(4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol

6-ethenyl-6-(4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol (PubChem CID 25264851) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-ethenyl-6-(4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol.

Molecular Properties

Compound Name6-ethenyl-6-(4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol
PubChem CID25264851
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name6-ethenyl-6-(4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol
SMILESC=CC1(c2ccc(O)cc2)CCCc2cc(O)ccc2C1
InChIInChI=1S/C19H20O2/c1-2-19(16-6-9-17(20)10-7-16)11-3-4-14-12-18(21)8-5-15(14)13-19/h2,5-10,12,20-21H,1,3-4,11,13H2
InChIKeyKTFYUZLSCBFDNK-UHFFFAOYSA-N
XLogP4.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-6-(4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol?
The IUPAC name of 6-ethenyl-6-(4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol (CID 25264851) is 6-ethenyl-6-(4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol.
What is the SMILES notation for 6-ethenyl-6-(4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol?
The canonical SMILES for 6-ethenyl-6-(4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol is C=CC1(c2ccc(O)cc2)CCCc2cc(O)ccc2C1.
What is the InChIKey of 6-ethenyl-6-(4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol?
The InChIKey is KTFYUZLSCBFDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-2-19(16-6-9-17(20)10-7-16)11-3-4-14-12-18(21)8-5-15(14)13-19/h2,5-10,12,20-21H,1,3-4,11,13H2.
What are the key properties of 6-ethenyl-6-(4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol?
6-ethenyl-6-(4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol has a molecular weight of 280.37 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-6-(4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol is sourced from PubChem (CID 25264851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).