6-methyl-2-phenylchromen-4-one

C16H12O2 — CID 689013

IUPAC6-methyl-2-phenylchromen-4-one
SMILESCc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C16H12O2/c1-11-7-8-15-13(9-11)14(17)10-16(18-15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyNOQJBXPAMJLUSS-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.77
Rot. Bonds1

About 6-methyl-2-phenylchromen-4-one

6-methyl-2-phenylchromen-4-one (PubChem CID 689013) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-methyl-2-phenylchromen-4-one
PubChem CID689013
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name6-methyl-2-phenylchromen-4-one
SMILESCc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C16H12O2/c1-11-7-8-15-13(9-11)14(17)10-16(18-15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyNOQJBXPAMJLUSS-UHFFFAOYSA-N
XLogP3.77
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenylchromen-4-one?
The IUPAC name of 6-methyl-2-phenylchromen-4-one (CID 689013) is 6-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 6-methyl-2-phenylchromen-4-one?
The canonical SMILES for 6-methyl-2-phenylchromen-4-one is Cc1ccc2oc(-c3ccccc3)cc(=O)c2c1.
What is the InChIKey of 6-methyl-2-phenylchromen-4-one?
The InChIKey is NOQJBXPAMJLUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c1-11-7-8-15-13(9-11)14(17)10-16(18-15)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 6-methyl-2-phenylchromen-4-one?
6-methyl-2-phenylchromen-4-one has a molecular weight of 236.27 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 689013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).