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

C17H16O2 — CID 54910597

IUPAC1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H16O2/c1-12(18)15-6-2-3-7-16(15)13-8-9-17-14(11-13)5-4-10-19-17/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyRBBWLTFAYFZPMP-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.88
Rot. Bonds2

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

1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone (PubChem CID 54910597) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
PubChem CID54910597
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H16O2/c1-12(18)15-6-2-3-7-16(15)13-8-9-17-14(11-13)5-4-10-19-17/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyRBBWLTFAYFZPMP-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

2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
CID 54910642
1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone
CID 116895365
N-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine
CID 61032565
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
2-chloro-5-(3,4-dihydro-2H-chromen-6-yl)benzoic acid
CID 61026274
1-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]phenyl]ethanone
CID 118759914
N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807428
2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzoic acid
CID 66821500
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
6-[4-[(3Z)-4-(2-methylphenyl)penta-1,3-dien-2-yl]phenyl]-3,4-dihydro-2H-chromene
CID 145465308
5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 114032365

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone?
The IUPAC name of 1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone (CID 54910597) is 1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone is CC(=O)c1ccccc1-c1ccc2c(c1)CCCO2.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone?
The InChIKey is RBBWLTFAYFZPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-12(18)15-6-2-3-7-16(15)13-8-9-17-14(11-13)5-4-10-19-17/h2-3,6-9,11H,4-5,10H2,1H3.
What are the key properties of 1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone?
1-[2-(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-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone is sourced from PubChem (CID 54910597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).