2-methyl-1,2-dihydrobenzo[f]chromen-3-one

C14H12O2 — CID 11974497

IUPAC2-methyl-1,2-dihydrobenzo[f]chromen-3-one
SMILESCC1Cc2c(ccc3ccccc23)OC1=O
InChIInChI=1S/C14H12O2/c1-9-8-12-11-5-3-2-4-10(11)6-7-13(12)16-14(9)15/h2-7,9H,8H2,1H3
InChIKeySUHVASRTABOVSV-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.94
Rot. Bonds

About 2-methyl-1,2-dihydrobenzo[f]chromen-3-one

2-methyl-1,2-dihydrobenzo[f]chromen-3-one (PubChem CID 11974497) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-methyl-1,2-dihydrobenzo[f]chromen-3-one.

Molecular Properties

Compound Name2-methyl-1,2-dihydrobenzo[f]chromen-3-one
PubChem CID11974497
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name2-methyl-1,2-dihydrobenzo[f]chromen-3-one
SMILESCC1Cc2c(ccc3ccccc23)OC1=O
InChIInChI=1S/C14H12O2/c1-9-8-12-11-5-3-2-4-10(11)6-7-13(12)16-14(9)15/h2-7,9H,8H2,1H3
InChIKeySUHVASRTABOVSV-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.94
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 2-methyl-1,2-dihydrobenzo[f]chromen-3-one?
The IUPAC name of 2-methyl-1,2-dihydrobenzo[f]chromen-3-one (CID 11974497) is 2-methyl-1,2-dihydrobenzo[f]chromen-3-one.
What is the SMILES notation for 2-methyl-1,2-dihydrobenzo[f]chromen-3-one?
The canonical SMILES for 2-methyl-1,2-dihydrobenzo[f]chromen-3-one is CC1Cc2c(ccc3ccccc23)OC1=O.
What is the InChIKey of 2-methyl-1,2-dihydrobenzo[f]chromen-3-one?
The InChIKey is SUHVASRTABOVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-9-8-12-11-5-3-2-4-10(11)6-7-13(12)16-14(9)15/h2-7,9H,8H2,1H3.
What are the key properties of 2-methyl-1,2-dihydrobenzo[f]chromen-3-one?
2-methyl-1,2-dihydrobenzo[f]chromen-3-one has a molecular weight of 212.25 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2-dihydrobenzo[f]chromen-3-one is sourced from PubChem (CID 11974497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).