2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one

C18H18O2 — CID 114673693

IUPAC2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)C(=O)CC(c1cccc(C)c1C)O2
InChIInChI=1S/C18H18O2/c1-11-7-8-17-15(9-11)16(19)10-18(20-17)14-6-4-5-12(2)13(14)3/h4-9,18H,10H2,1-3H3
InChIKeyKCSKQFAGUNFCJM-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.32
Rot. Bonds1

About 2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one

2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one (PubChem CID 114673693) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one
PubChem CID114673693
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)C(=O)CC(c1cccc(C)c1C)O2
InChIInChI=1S/C18H18O2/c1-11-7-8-17-15(9-11)16(19)10-18(20-17)14-6-4-5-12(2)13(14)3/h4-9,18H,10H2,1-3H3
InChIKeyKCSKQFAGUNFCJM-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 804880
6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
CID 114671977
2-(2,3-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672549
2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one
CID 114672012
2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one
CID 91411003
2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709598
2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 114673641
2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673920
7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
CID 114673081
2-(2-bromo-4-methylphenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674816
2-(6-bromo-4H-1,3-benzodioxin-8-yl)-6-methyl-2,3-dihydrochromen-4-one
CID 4074214
(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 688727

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one (CID 114673693) is 2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one is Cc1ccc2c(c1)C(=O)CC(c1cccc(C)c1C)O2.
What is the InChIKey of 2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one?
The InChIKey is KCSKQFAGUNFCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-11-7-8-17-15(9-11)16(19)10-18(20-17)14-6-4-5-12(2)13(14)3/h4-9,18H,10H2,1-3H3.
What are the key properties of 2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one?
2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one has a molecular weight of 266.34 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114673693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).