1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone

C17H16O2 — CID 114746496

IUPAC1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cccc3c2OCCC3)cc1
InChIInChI=1S/C17H16O2/c1-12(18)13-7-9-14(10-8-13)16-6-2-4-15-5-3-11-19-17(15)16/h2,4,6-10H,3,5,11H2,1H3
InChIKeyRZBIWLZCGVAQIR-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.88
Rot. Bonds2

About 1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone

1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone (PubChem CID 114746496) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone
PubChem CID114746496
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cccc3c2OCCC3)cc1
InChIInChI=1S/C17H16O2/c1-12(18)13-7-9-14(10-8-13)16-6-2-4-15-5-3-11-19-17(15)16/h2,4,6-10H,3,5,11H2,1H3
InChIKeyRZBIWLZCGVAQIR-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

Analyze 1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone 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

1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]ethanone
CID 114746501
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
3-(3,4-dihydro-2H-chromen-8-yl)-5-methylbenzoic acid
CID 114746382
4-(3,4-dihydro-2H-chromen-8-yl)pyridine
CID 165409197
7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 23543625
2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol
CID 114747683
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
2-(3,4-dihydro-2H-chromen-8-yl)-5-methylbenzoic acid
CID 114746380
4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline
CID 114746433
1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
CID 54910642
8-(2-fluorophenyl)-3,4-dihydro-2H-chromene;methanamine
CID 143567573
1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone (CID 114746496) is 1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone is CC(=O)c1ccc(-c2cccc3c2OCCC3)cc1.
What is the InChIKey of 1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone?
The InChIKey is RZBIWLZCGVAQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-12(18)13-7-9-14(10-8-13)16-6-2-4-15-5-3-11-19-17(15)16/h2,4,6-10H,3,5,11H2,1H3.
What are the key properties of 1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone?
1-[4-(3,4-dihydro-2H-chromen-8-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-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone is sourced from PubChem (CID 114746496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).