1H-benzo[7]annulen-5-ol

C11H10O — CID 21319344

IUPAC1H-benzo[7]annulen-5-ol
SMILESOC1=CC=CC=C2CC=CC=C12
InChIInChI=1S/C11H10O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1-4,6-8,12H,5H2
InChIKeyTUWSWSOREAUSCJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.81
Rot. Bonds

About 1H-benzo[7]annulen-5-ol

1H-benzo[7]annulen-5-ol (PubChem CID 21319344) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 1H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name1H-benzo[7]annulen-5-ol
PubChem CID21319344
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name1H-benzo[7]annulen-5-ol
SMILESOC1=CC=CC=C2CC=CC=C12
InChIInChI=1S/C11H10O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1-4,6-8,12H,5H2
InChIKeyTUWSWSOREAUSCJ-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-benzo[7]annulen-5-ol?
The IUPAC name of 1H-benzo[7]annulen-5-ol (CID 21319344) is 1H-benzo[7]annulen-5-ol.
What is the SMILES notation for 1H-benzo[7]annulen-5-ol?
The canonical SMILES for 1H-benzo[7]annulen-5-ol is OC1=CC=CC=C2CC=CC=C12.
What is the InChIKey of 1H-benzo[7]annulen-5-ol?
The InChIKey is TUWSWSOREAUSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1-4,6-8,12H,5H2.
What are the key properties of 1H-benzo[7]annulen-5-ol?
1H-benzo[7]annulen-5-ol has a molecular weight of 158.20 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzo[7]annulen-5-ol is sourced from PubChem (CID 21319344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).