1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone

C17H16O2 — CID 54910642

IUPAC1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C17H16O2/c1-12(18)13-4-2-5-14(10-13)15-7-8-17-16(11-15)6-3-9-19-17/h2,4-5,7-8,10-11H,3,6,9H2,1H3
InChIKeyIWJTYUYQDWPUEM-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.88
Rot. Bonds2

About 1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone

1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone (PubChem CID 54910642) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
PubChem CID54910642
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C17H16O2/c1-12(18)13-4-2-5-14(10-13)15-7-8-17-16(11-15)6-3-9-19-17/h2,4-5,7-8,10-11H,3,6,9H2,1H3
InChIKeyIWJTYUYQDWPUEM-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
CID 54910597
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate
CID 4131960
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone
CID 116895365
3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone
CID 54908650
2-chloro-5-(3,4-dihydro-2H-chromen-6-yl)benzoic acid
CID 61026274
1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]propan-1-amine
CID 61032927
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 170510996
1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone
CID 114746496
1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-2-methylpropan-1-one
CID 116920405
4-(3,4-dihydro-2H-chromen-6-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103500042
4-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazole-5-carboxylic acid
CID 82478349

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone (CID 54910642) is 1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone is CC(=O)c1cccc(-c2ccc3c(c2)CCCO3)c1.
What is the InChIKey of 1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone?
The InChIKey is IWJTYUYQDWPUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-12(18)13-4-2-5-14(10-13)15-7-8-17-16(11-15)6-3-9-19-17/h2,4-5,7-8,10-11H,3,6,9H2,1H3.
What are the key properties of 1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone?
1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone has a molecular weight of 252.31 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone is sourced from PubChem (CID 54910642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).