3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone

C18H18O2 — CID 65409325

IUPAC3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)C2COc3ccccc3C2)c1
InChIInChI=1S/C18H18O2/c1-12-7-8-13(2)16(9-12)18(19)15-10-14-5-3-4-6-17(14)20-11-15/h3-9,15H,10-11H2,1-2H3
InChIKeyQSNRBWDAAFBWOP-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.74
Rot. Bonds2

About 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone

3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone (PubChem CID 65409325) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone
PubChem CID65409325
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)C2COc3ccccc3C2)c1
InChIInChI=1S/C18H18O2/c1-12-7-8-13(2)16(9-12)18(19)15-10-14-5-3-4-6-17(14)20-11-15/h3-9,15H,10-11H2,1-2H3
InChIKeyQSNRBWDAAFBWOP-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-chromen-3-yl-(2,4-dimethylphenyl)methanone
CID 65406634
3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone
CID 79991091
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 65408168
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
2,3-dihydro-1-benzofuran-2-yl-(2,4-dimethylphenyl)methanone
CID 43337896
cyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone
CID 106651928
(2-amino-3-pyridinyl)-(3,4-dihydro-2H-chromen-3-yl)methanone
CID 65408944
3,4-dihydro-2H-chromen-3-yl-(2-fluoro-3-methoxyphenyl)methanone
CID 82791721
(3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713196
N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057628
(3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95153639

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone (CID 65409325) is 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)C2COc3ccccc3C2)c1.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone?
The InChIKey is QSNRBWDAAFBWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-12-7-8-13(2)16(9-12)18(19)15-10-14-5-3-4-6-17(14)20-11-15/h3-9,15H,10-11H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone?
3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone has a molecular weight of 266.34 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 65409325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).