5,7-dimethyl-4-phenylchromen-2-one

C17H14O2 — CID 10705807

IUPAC5,7-dimethyl-4-phenylchromen-2-one
SMILESCc1cc(C)c2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C17H14O2/c1-11-8-12(2)17-14(13-6-4-3-5-7-13)10-16(18)19-15(17)9-11/h3-10H,1-2H3
InChIKeyVJAXTCNBSWIASQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.08
Rot. Bonds1

About 5,7-dimethyl-4-phenylchromen-2-one

5,7-dimethyl-4-phenylchromen-2-one (PubChem CID 10705807) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5,7-dimethyl-4-phenylchromen-2-one.

Molecular Properties

Compound Name5,7-dimethyl-4-phenylchromen-2-one
PubChem CID10705807
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name5,7-dimethyl-4-phenylchromen-2-one
SMILESCc1cc(C)c2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C17H14O2/c1-11-8-12(2)17-14(13-6-4-3-5-7-13)10-16(18)19-15(17)9-11/h3-10H,1-2H3
InChIKeyVJAXTCNBSWIASQ-UHFFFAOYSA-N
XLogP4.08
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4-phenylchromen-2-one?
The IUPAC name of 5,7-dimethyl-4-phenylchromen-2-one (CID 10705807) is 5,7-dimethyl-4-phenylchromen-2-one.
What is the SMILES notation for 5,7-dimethyl-4-phenylchromen-2-one?
The canonical SMILES for 5,7-dimethyl-4-phenylchromen-2-one is Cc1cc(C)c2c(-c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of 5,7-dimethyl-4-phenylchromen-2-one?
The InChIKey is VJAXTCNBSWIASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-11-8-12(2)17-14(13-6-4-3-5-7-13)10-16(18)19-15(17)9-11/h3-10H,1-2H3.
What are the key properties of 5,7-dimethyl-4-phenylchromen-2-one?
5,7-dimethyl-4-phenylchromen-2-one has a molecular weight of 250.30 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4-phenylchromen-2-one is sourced from PubChem (CID 10705807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).