6-chloro-7-methyl-2-phenylchromen-4-one

C16H11ClO2 — CID 597890

IUPAC6-chloro-7-methyl-2-phenylchromen-4-one
SMILESCc1cc2oc(-c3ccccc3)cc(=O)c2cc1Cl
InChIInChI=1S/C16H11ClO2/c1-10-7-16-12(8-13(10)17)14(18)9-15(19-16)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyUEURAPSJJCDACA-UHFFFAOYSA-N
MW270.71 g/mol
LogP4.42
Rot. Bonds1

About 6-chloro-7-methyl-2-phenylchromen-4-one

6-chloro-7-methyl-2-phenylchromen-4-one (PubChem CID 597890) has the molecular formula C16H11ClO2 and a molecular weight of 270.71 g/mol. Its IUPAC name is 6-chloro-7-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-chloro-7-methyl-2-phenylchromen-4-one
PubChem CID597890
Molecular FormulaC16H11ClO2
Molecular Weight270.71 g/mol
Exact Mass270.04
IUPAC Name6-chloro-7-methyl-2-phenylchromen-4-one
SMILESCc1cc2oc(-c3ccccc3)cc(=O)c2cc1Cl
InChIInChI=1S/C16H11ClO2/c1-10-7-16-12(8-13(10)17)14(18)9-15(19-16)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyUEURAPSJJCDACA-UHFFFAOYSA-N
XLogP4.42
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methyl-2-phenylchromen-4-one?
The IUPAC name of 6-chloro-7-methyl-2-phenylchromen-4-one (CID 597890) is 6-chloro-7-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 6-chloro-7-methyl-2-phenylchromen-4-one?
The canonical SMILES for 6-chloro-7-methyl-2-phenylchromen-4-one is Cc1cc2oc(-c3ccccc3)cc(=O)c2cc1Cl.
What is the InChIKey of 6-chloro-7-methyl-2-phenylchromen-4-one?
The InChIKey is UEURAPSJJCDACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO2/c1-10-7-16-12(8-13(10)17)14(18)9-15(19-16)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 6-chloro-7-methyl-2-phenylchromen-4-one?
6-chloro-7-methyl-2-phenylchromen-4-one has a molecular weight of 270.71 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 597890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).