2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one

C18H18O3 — CID 114672605

IUPAC2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OC(c1cc(C)cc(C)c1)CC2=O
InChIInChI=1S/C18H18O3/c1-11-6-12(2)8-13(7-11)17-10-16(19)15-5-4-14(20-3)9-18(15)21-17/h4-9,17H,10H2,1-3H3
InChIKeyIOYATRIMJFGLCK-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.02
Rot. Bonds2

About 2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one

2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one (PubChem CID 114672605) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
PubChem CID114672605
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OC(c1cc(C)cc(C)c1)CC2=O
InChIInChI=1S/C18H18O3/c1-11-6-12(2)8-13(7-11)17-10-16(19)15-5-4-14(20-3)9-18(15)21-17/h4-9,17H,10H2,1-3H3
InChIKeyIOYATRIMJFGLCK-UHFFFAOYSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 16655803
2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 73299305
2-(4-fluoro-3-methylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672406
2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672505
2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672632
4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
CID 93179406
2-(2,3-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672549
7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 5271543
(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 40595579
7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 114674776
2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one
CID 102846041
2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672447

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one (CID 114672605) is 2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one is COc1ccc2c(c1)OC(c1cc(C)cc(C)c1)CC2=O.
What is the InChIKey of 2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is IOYATRIMJFGLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-11-6-12(2)8-13(7-11)17-10-16(19)15-5-4-14(20-3)9-18(15)21-17/h4-9,17H,10H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one?
2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 282.34 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114672605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).