4-methylbenzo[h]chromen-2-one

C14H10O2 — CID 602862

IUPAC4-methylbenzo[h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1ccccc12
InChIInChI=1S/C14H10O2/c1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14/h2-8H,1H3
InChIKeyUPMCEGGVPZVZHL-UHFFFAOYSA-N
MW210.23 g/mol
LogP3.25
Rot. Bonds

About 4-methylbenzo[h]chromen-2-one

4-methylbenzo[h]chromen-2-one (PubChem CID 602862) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-methylbenzo[h]chromen-2-one.

Molecular Properties

Compound Name4-methylbenzo[h]chromen-2-one
PubChem CID602862
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Name4-methylbenzo[h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1ccccc12
InChIInChI=1S/C14H10O2/c1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14/h2-8H,1H3
InChIKeyUPMCEGGVPZVZHL-UHFFFAOYSA-N
XLogP3.25
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylbenzo[h]chromen-2-one?
The IUPAC name of 4-methylbenzo[h]chromen-2-one (CID 602862) is 4-methylbenzo[h]chromen-2-one.
What is the SMILES notation for 4-methylbenzo[h]chromen-2-one?
The canonical SMILES for 4-methylbenzo[h]chromen-2-one is Cc1cc(=O)oc2c1ccc1ccccc12.
What is the InChIKey of 4-methylbenzo[h]chromen-2-one?
The InChIKey is UPMCEGGVPZVZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14/h2-8H,1H3.
What are the key properties of 4-methylbenzo[h]chromen-2-one?
4-methylbenzo[h]chromen-2-one has a molecular weight of 210.23 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzo[h]chromen-2-one is sourced from PubChem (CID 602862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).