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

C17H15ClO2 — CID 61027612

IUPAC2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H15ClO2/c18-15-6-3-12(4-7-15)10-16(19)13-5-8-17-14(11-13)2-1-9-20-17/h3-8,11H,1-2,9-10H2
InChIKeyMRSOTJHMIJKJSV-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.09
Rot. Bonds3

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

2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone (PubChem CID 61027612) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
PubChem CID61027612
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H15ClO2/c18-15-6-3-12(4-7-15)10-16(19)13-5-8-17-14(11-13)2-1-9-20-17/h3-8,11H,1-2,9-10H2
InChIKeyMRSOTJHMIJKJSV-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone
CID 61026711
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974471
2-chloro-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanone
CID 82242395
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826329
1-(3,4-dihydro-2H-chromen-6-yl)pentan-1-one
CID 61027347
[3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium
CID 7214406
1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one
CID 82493834
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63492348
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone
CID 61027750
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 61080781
2,2-dichloro-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 116827170

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone (CID 61027612) is 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone is O=C(Cc1ccc(Cl)cc1)c1ccc2c(c1)CCCO2.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone?
The InChIKey is MRSOTJHMIJKJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c18-15-6-3-12(4-7-15)10-16(19)13-5-8-17-14(11-13)2-1-9-20-17/h3-8,11H,1-2,9-10H2.
What are the key properties of 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone?
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone has a molecular weight of 286.76 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone is sourced from PubChem (CID 61027612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).