7-cyclopropyl-4-(2-methylphenyl)chromen-2-one

C19H16O2 — CID 167498753

IUPAC7-cyclopropyl-4-(2-methylphenyl)chromen-2-one
SMILESCc1ccccc1-c1cc(=O)oc2cc(C3CC3)ccc12
InChIInChI=1S/C19H16O2/c1-12-4-2-3-5-15(12)17-11-19(20)21-18-10-14(13-6-7-13)8-9-16(17)18/h2-5,8-11,13H,6-7H2,1H3
InChIKeyOWNJNCNGMBVAQH-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.65
Rot. Bonds2

About 7-cyclopropyl-4-(2-methylphenyl)chromen-2-one

7-cyclopropyl-4-(2-methylphenyl)chromen-2-one (PubChem CID 167498753) has the molecular formula C19H16O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 7-cyclopropyl-4-(2-methylphenyl)chromen-2-one.

Molecular Properties

Compound Name7-cyclopropyl-4-(2-methylphenyl)chromen-2-one
PubChem CID167498753
Molecular FormulaC19H16O2
Molecular Weight276.33 g/mol
Exact Mass276.12
IUPAC Name7-cyclopropyl-4-(2-methylphenyl)chromen-2-one
SMILESCc1ccccc1-c1cc(=O)oc2cc(C3CC3)ccc12
InChIInChI=1S/C19H16O2/c1-12-4-2-3-5-15(12)17-11-19(20)21-18-10-14(13-6-7-13)8-9-16(17)18/h2-5,8-11,13H,6-7H2,1H3
InChIKeyOWNJNCNGMBVAQH-UHFFFAOYSA-N
XLogP4.65
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-cyclopropyl-4-(2-methylphenyl)chromen-2-one;formamide
CID 167499260
trans-(1S,2S)-2-[4-(2-methylphenyl)-2-oxochromen-7-yl]cyclopropane-1-carboxylic acid
CID 167498737
4-(2-methylphenyl)-7-[[(2R)-oxan-2-yl]methoxy]chromen-2-one
CID 172878954
4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one
CID 167497973
7-(1-hydroxyethyl)-4-(2-methylphenyl)chromen-2-one
CID 167498961
4-[methyl-[[4-(2-methylphenyl)-2-oxochromen-7-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 167498673
7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one
CID 167497899
(3R)-1-[2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
CID 138490753
3-methoxy-N-methyl-2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxyprop-2-enamide
CID 175853041
7-[(E)-2-hydroxyethenyl]-4-(2-methylphenyl)chromen-2-one;prop-1-yne
CID 167498907
N-methyl-1-[2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidine-3-carboxamide
CID 138490731
ethane;7-(1-methoxybutan-2-yloxy)-4-(2-methylphenyl)chromen-2-one
CID 167497978

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-4-(2-methylphenyl)chromen-2-one?
The IUPAC name of 7-cyclopropyl-4-(2-methylphenyl)chromen-2-one (CID 167498753) is 7-cyclopropyl-4-(2-methylphenyl)chromen-2-one.
What is the SMILES notation for 7-cyclopropyl-4-(2-methylphenyl)chromen-2-one?
The canonical SMILES for 7-cyclopropyl-4-(2-methylphenyl)chromen-2-one is Cc1ccccc1-c1cc(=O)oc2cc(C3CC3)ccc12.
What is the InChIKey of 7-cyclopropyl-4-(2-methylphenyl)chromen-2-one?
The InChIKey is OWNJNCNGMBVAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-12-4-2-3-5-15(12)17-11-19(20)21-18-10-14(13-6-7-13)8-9-16(17)18/h2-5,8-11,13H,6-7H2,1H3.
What are the key properties of 7-cyclopropyl-4-(2-methylphenyl)chromen-2-one?
7-cyclopropyl-4-(2-methylphenyl)chromen-2-one has a molecular weight of 276.33 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-4-(2-methylphenyl)chromen-2-one is sourced from PubChem (CID 167498753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).