6,7-dichloro-2-methyl-2,3-dihydrochromen-4-one

C10H8Cl2O2 — CID 12664412

IUPAC6,7-dichloro-2-methyl-2,3-dihydrochromen-4-one
SMILESCC1CC(=O)c2cc(Cl)c(Cl)cc2O1
InChIInChI=1S/C10H8Cl2O2/c1-5-2-9(13)6-3-7(11)8(12)4-10(6)14-5/h3-5H,2H2,1H3
InChIKeyVRBPCXSQRQSCIH-UHFFFAOYSA-N
MW231.08 g/mol
LogP3.35
Rot. Bonds

About 6,7-dichloro-2-methyl-2,3-dihydrochromen-4-one

6,7-dichloro-2-methyl-2,3-dihydrochromen-4-one (PubChem CID 12664412) has the molecular formula C10H8Cl2O2 and a molecular weight of 231.08 g/mol. Its IUPAC name is 6,7-dichloro-2-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6,7-dichloro-2-methyl-2,3-dihydrochromen-4-one
PubChem CID12664412
Molecular FormulaC10H8Cl2O2
Molecular Weight231.08 g/mol
Exact Mass229.99
IUPAC Name6,7-dichloro-2-methyl-2,3-dihydrochromen-4-one
SMILESCC1CC(=O)c2cc(Cl)c(Cl)cc2O1
InChIInChI=1S/C10H8Cl2O2/c1-5-2-9(13)6-3-7(11)8(12)4-10(6)14-5/h3-5H,2H2,1H3
InChIKeyVRBPCXSQRQSCIH-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 6,7-dichloro-2-methyl-2,3-dihydrochromen-4-one (CID 12664412) is 6,7-dichloro-2-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6,7-dichloro-2-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6,7-dichloro-2-methyl-2,3-dihydrochromen-4-one is CC1CC(=O)c2cc(Cl)c(Cl)cc2O1.
What is the InChIKey of 6,7-dichloro-2-methyl-2,3-dihydrochromen-4-one?
The InChIKey is VRBPCXSQRQSCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O2/c1-5-2-9(13)6-3-7(11)8(12)4-10(6)14-5/h3-5H,2H2,1H3.
What are the key properties of 6,7-dichloro-2-methyl-2,3-dihydrochromen-4-one?
6,7-dichloro-2-methyl-2,3-dihydrochromen-4-one has a molecular weight of 231.08 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 12664412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).