1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone

C12H13ClO2 — CID 84689444

IUPAC1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Cl)cc(OCC2CC2)c1
InChIInChI=1S/C12H13ClO2/c1-8(14)10-4-11(13)6-12(5-10)15-7-9-2-3-9/h4-6,9H,2-3,7H2,1H3
InChIKeyUEISZKRNNVHJGH-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.33
Rot. Bonds4

About 1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone

1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone (PubChem CID 84689444) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone
PubChem CID84689444
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Cl)cc(OCC2CC2)c1
InChIInChI=1S/C12H13ClO2/c1-8(14)10-4-11(13)6-12(5-10)15-7-9-2-3-9/h4-6,9H,2-3,7H2,1H3
InChIKeyUEISZKRNNVHJGH-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxoacetic acid
CID 117389704
1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone
CID 84687564
3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117389863
1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 117420672
(2S)-2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]propan-1-one
CID 119333509
1-[3-bromo-5-(cyclopropylmethoxy)phenyl]propan-1-one
CID 162239378
2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119333514
[3-chloro-5-(cyclopentylmethoxy)phenyl]methanol
CID 138485153
5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117473772
1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene
CID 138485152
[3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol
CID 143728042
1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine
CID 117382912

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone?
The IUPAC name of 1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone (CID 84689444) is 1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone is CC(=O)c1cc(Cl)cc(OCC2CC2)c1.
What is the InChIKey of 1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone?
The InChIKey is UEISZKRNNVHJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-8(14)10-4-11(13)6-12(5-10)15-7-9-2-3-9/h4-6,9H,2-3,7H2,1H3.
What are the key properties of 1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone?
1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone has a molecular weight of 224.69 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone is sourced from PubChem (CID 84689444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).