1-(5-chloro-3,4-dihydro-2H-chromen-3-yl)ethanone

C11H11ClO2 — CID 165460900

IUPAC1-(5-chloro-3,4-dihydro-2H-chromen-3-yl)ethanone
SMILESCC(=O)C1COc2cccc(Cl)c2C1
InChIInChI=1S/C11H11ClO2/c1-7(13)8-5-9-10(12)3-2-4-11(9)14-6-8/h2-4,8H,5-6H2,1H3
InChIKeyNTLYGISWPUXWIL-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.48
Rot. Bonds1

About 1-(5-chloro-3,4-dihydro-2H-chromen-3-yl)ethanone

1-(5-chloro-3,4-dihydro-2H-chromen-3-yl)ethanone (PubChem CID 165460900) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-(5-chloro-3,4-dihydro-2H-chromen-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-3,4-dihydro-2H-chromen-3-yl)ethanone
PubChem CID165460900
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name1-(5-chloro-3,4-dihydro-2H-chromen-3-yl)ethanone
SMILESCC(=O)C1COc2cccc(Cl)c2C1
InChIInChI=1S/C11H11ClO2/c1-7(13)8-5-9-10(12)3-2-4-11(9)14-6-8/h2-4,8H,5-6H2,1H3
InChIKeyNTLYGISWPUXWIL-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-5-chloro-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 96778514
methyl 5-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 170904473
1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)propan-2-one
CID 117198387
(4S)-4-acetyloxolan-2-one
CID 54075374
1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutan-1-one
CID 165451462
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
(2,3-dichlorophenyl) (3R)-3,4-dihydro-2H-chromene-3-carboxylate
CID 9245021
(3R)-5-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid;(1R)-1-phenylethanamine
CID 173306528
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
5-chloro-3,3-difluoro-2,4-dihydrochromene
CID 59606713
5-methyl-3,4-dihydro-2H-chromen-3-ol
CID 89155402
(3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95782971

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3,4-dihydro-2H-chromen-3-yl)ethanone?
The IUPAC name of 1-(5-chloro-3,4-dihydro-2H-chromen-3-yl)ethanone (CID 165460900) is 1-(5-chloro-3,4-dihydro-2H-chromen-3-yl)ethanone.
What is the SMILES notation for 1-(5-chloro-3,4-dihydro-2H-chromen-3-yl)ethanone?
The canonical SMILES for 1-(5-chloro-3,4-dihydro-2H-chromen-3-yl)ethanone is CC(=O)C1COc2cccc(Cl)c2C1.
What is the InChIKey of 1-(5-chloro-3,4-dihydro-2H-chromen-3-yl)ethanone?
The InChIKey is NTLYGISWPUXWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-7(13)8-5-9-10(12)3-2-4-11(9)14-6-8/h2-4,8H,5-6H2,1H3.
What are the key properties of 1-(5-chloro-3,4-dihydro-2H-chromen-3-yl)ethanone?
1-(5-chloro-3,4-dihydro-2H-chromen-3-yl)ethanone has a molecular weight of 210.66 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3,4-dihydro-2H-chromen-3-yl)ethanone is sourced from PubChem (CID 165460900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).