1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

C13H12O3 — CID 5383016

IUPAC1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
SMILESO=c1oc2cccc(O)c2c2c1CCCC2
InChIInChI=1S/C13H12O3/c14-10-6-3-7-11-12(10)8-4-1-2-5-9(8)13(15)16-11/h3,6-7,14H,1-2,4-5H2
InChIKeyFPHRSNKCZKXOGR-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.38
Rot. Bonds

About 1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one (PubChem CID 5383016) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one.

Molecular Properties

Compound Name1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
PubChem CID5383016
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
SMILESO=c1oc2cccc(O)c2c2c1CCCC2
InChIInChI=1S/C13H12O3/c14-10-6-3-7-11-12(10)8-4-1-2-5-9(8)13(15)16-11/h3,6-7,14H,1-2,4-5H2
InChIKeyFPHRSNKCZKXOGR-UHFFFAOYSA-N
XLogP2.38
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The IUPAC name of 1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one (CID 5383016) is 1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one.
What is the SMILES notation for 1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The canonical SMILES for 1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one is O=c1oc2cccc(O)c2c2c1CCCC2.
What is the InChIKey of 1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The InChIKey is FPHRSNKCZKXOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c14-10-6-3-7-11-12(10)8-4-1-2-5-9(8)13(15)16-11/h3,6-7,14H,1-2,4-5H2.
What are the key properties of 1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one has a molecular weight of 216.24 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one is sourced from PubChem (CID 5383016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).