3,4-dihydrobenzo[h]chromen-2-one

C13H10O2 — CID 19694428

IUPAC3,4-dihydrobenzo[h]chromen-2-one
SMILESO=C1CCc2ccc3ccccc3c2O1
InChIInChI=1S/C13H10O2/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)15-12/h1-6H,7-8H2
InChIKeyIJUBCYZYZZVONT-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.69
Rot. Bonds

About 3,4-dihydrobenzo[h]chromen-2-one

3,4-dihydrobenzo[h]chromen-2-one (PubChem CID 19694428) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3,4-dihydrobenzo[h]chromen-2-one.

Molecular Properties

Compound Name3,4-dihydrobenzo[h]chromen-2-one
PubChem CID19694428
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name3,4-dihydrobenzo[h]chromen-2-one
SMILESO=C1CCc2ccc3ccccc3c2O1
InChIInChI=1S/C13H10O2/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)15-12/h1-6H,7-8H2
InChIKeyIJUBCYZYZZVONT-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydrobenzo[h]chromen-2-one?
The IUPAC name of 3,4-dihydrobenzo[h]chromen-2-one (CID 19694428) is 3,4-dihydrobenzo[h]chromen-2-one.
What is the SMILES notation for 3,4-dihydrobenzo[h]chromen-2-one?
The canonical SMILES for 3,4-dihydrobenzo[h]chromen-2-one is O=C1CCc2ccc3ccccc3c2O1.
What is the InChIKey of 3,4-dihydrobenzo[h]chromen-2-one?
The InChIKey is IJUBCYZYZZVONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)15-12/h1-6H,7-8H2.
What are the key properties of 3,4-dihydrobenzo[h]chromen-2-one?
3,4-dihydrobenzo[h]chromen-2-one has a molecular weight of 198.22 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydrobenzo[h]chromen-2-one is sourced from PubChem (CID 19694428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).