1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone

C18H18O2 — CID 61026711

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C18H18O2/c1-13-4-6-14(7-5-13)11-17(19)15-8-9-18-16(12-15)3-2-10-20-18/h4-9,12H,2-3,10-11H2,1H3
InChIKeyBZEBOLYCVOGNRE-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.75
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone

1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone (PubChem CID 61026711) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone
PubChem CID61026711
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C18H18O2/c1-13-4-6-14(7-5-13)11-17(19)15-8-9-18-16(12-15)3-2-10-20-18/h4-9,12H,2-3,10-11H2,1H3
InChIKeyBZEBOLYCVOGNRE-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 61027612
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63492348
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974471
1-(3,4-dihydro-2H-chromen-6-yl)pentan-1-one
CID 61027347
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one
CID 82493834
[3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium
CID 7214406
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826329
2-chloro-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanone
CID 82242395
1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione
CID 90355177
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone
CID 61027750
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone
CID 43297030

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone (CID 61026711) is 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)c2ccc3c(c2)CCCO3)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone?
The InChIKey is BZEBOLYCVOGNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-13-4-6-14(7-5-13)11-17(19)15-8-9-18-16(12-15)3-2-10-20-18/h4-9,12H,2-3,10-11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone?
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone has a molecular weight of 266.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 61026711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).