4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one

C19H18O3 — CID 167497973

IUPAC4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one
SMILESCc1ccccc1-c1cc(=O)oc2cc(OC(C)C)ccc12
InChIInChI=1S/C19H18O3/c1-12(2)21-14-8-9-16-17(11-19(20)22-18(16)10-14)15-7-5-4-6-13(15)3/h4-12H,1-3H3
InChIKeyDRRHIGXQRYBTKS-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.56
Rot. Bonds3

About 4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one

4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one (PubChem CID 167497973) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one.

Molecular Properties

Compound Name4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one
PubChem CID167497973
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one
SMILESCc1ccccc1-c1cc(=O)oc2cc(OC(C)C)ccc12
InChIInChI=1S/C19H18O3/c1-12(2)21-14-8-9-16-17(11-19(20)22-18(16)10-14)15-7-5-4-6-13(15)3/h4-12H,1-3H3
InChIKeyDRRHIGXQRYBTKS-UHFFFAOYSA-N
XLogP4.56
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one
CID 167497899
ethane;7-(1-methoxybutan-2-yloxy)-4-(2-methylphenyl)chromen-2-one
CID 167497978
ethyl 3-ethoxy-2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxypropanoate
CID 167497930
2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxy-N-pyridin-2-ylpropanamide
CID 138490882
7-(1-hydroxyethyl)-4-(2-methylphenyl)chromen-2-one
CID 167498961
3-methoxy-N-methyl-2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxyprop-2-enamide
CID 175853041
propan-2-yl 2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxypropanoate
CID 174138415
7-cyclopropyl-4-(2-methylphenyl)chromen-2-one
CID 167498753
ethyl 2-methyl-3-[4-(2-methylphenyl)-2-oxochromen-7-yl]propanoate
CID 167499034
(3R)-1-[2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
CID 138490753
ethyl 2-[4-(2-fluorophenyl)-2-oxochromen-7-yl]oxypropanoate
CID 138490773
N-methyl-1-[2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidine-3-carboxamide
CID 138490731

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one?
The IUPAC name of 4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one (CID 167497973) is 4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one.
What is the SMILES notation for 4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one?
The canonical SMILES for 4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one is Cc1ccccc1-c1cc(=O)oc2cc(OC(C)C)ccc12.
What is the InChIKey of 4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one?
The InChIKey is DRRHIGXQRYBTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-12(2)21-14-8-9-16-17(11-19(20)22-18(16)10-14)15-7-5-4-6-13(15)3/h4-12H,1-3H3.
What are the key properties of 4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one?
4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one has a molecular weight of 294.35 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one is sourced from PubChem (CID 167497973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).