5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

C18H20O — CID 43809316

IUPAC5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESOC1(Cc2ccccc2)CCCCc2ccccc21
InChIInChI=1S/C18H20O/c19-18(14-15-8-2-1-3-9-15)13-7-6-11-16-10-4-5-12-17(16)18/h1-5,8-10,12,19H,6-7,11,13-14H2
InChIKeyOOXZCNTVTNTABW-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.84
Rot. Bonds2

About 5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 43809316) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID43809316
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESOC1(Cc2ccccc2)CCCCc2ccccc21
InChIInChI=1S/C18H20O/c19-18(14-15-8-2-1-3-9-15)13-7-6-11-16-10-4-5-12-17(16)18/h1-5,8-10,12,19H,6-7,11,13-14H2
InChIKeyOOXZCNTVTNTABW-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol with MolForge

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Related Compounds

1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60799204
5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 83173134
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
5-but-3-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 63656307
5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 104801482
5-[(1-methylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 82870193
5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147148
5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147296
5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147147
1-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 43809321
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 43809316) is 5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is OC1(Cc2ccccc2)CCCCc2ccccc21.
What is the InChIKey of 5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is OOXZCNTVTNTABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c19-18(14-15-8-2-1-3-9-15)13-7-6-11-16-10-4-5-12-17(16)18/h1-5,8-10,12,19H,6-7,11,13-14H2.
What are the key properties of 5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 252.36 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 43809316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).