2-cyclopropyl-1-(2-propoxyphenyl)ethanone

C14H18O2 — CID 104659396

IUPAC2-cyclopropyl-1-(2-propoxyphenyl)ethanone
SMILESCCCOc1ccccc1C(=O)CC1CC1
InChIInChI=1S/C14H18O2/c1-2-9-16-14-6-4-3-5-12(14)13(15)10-11-7-8-11/h3-6,11H,2,7-10H2,1H3
InChIKeyYZPXFALOEFTGEK-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.46
Rot. Bonds6

About 2-cyclopropyl-1-(2-propoxyphenyl)ethanone

2-cyclopropyl-1-(2-propoxyphenyl)ethanone (PubChem CID 104659396) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-propoxyphenyl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-propoxyphenyl)ethanone
PubChem CID104659396
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-cyclopropyl-1-(2-propoxyphenyl)ethanone
SMILESCCCOc1ccccc1C(=O)CC1CC1
InChIInChI=1S/C14H18O2/c1-2-9-16-14-6-4-3-5-12(14)13(15)10-11-7-8-11/h3-6,11H,2,7-10H2,1H3
InChIKeyYZPXFALOEFTGEK-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-(2-ethoxyphenyl)ethanone
CID 115533350
2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone
CID 116558980
2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659274
3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one
CID 116559237
2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 103168074
(4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone
CID 104659305
1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone
CID 116586475
(2-propoxyphenyl)-(thiolan-2-yl)methanone
CID 104659403
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
6-(2-propoxybenzoyl)piperidin-2-one
CID 54196538
(1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone
CID 104659366
phenyl-(2-propoxyphenyl)methanone
CID 15556308

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2-propoxyphenyl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(2-propoxyphenyl)ethanone (CID 104659396) is 2-cyclopropyl-1-(2-propoxyphenyl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(2-propoxyphenyl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(2-propoxyphenyl)ethanone is CCCOc1ccccc1C(=O)CC1CC1.
What is the InChIKey of 2-cyclopropyl-1-(2-propoxyphenyl)ethanone?
The InChIKey is YZPXFALOEFTGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-9-16-14-6-4-3-5-12(14)13(15)10-11-7-8-11/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 2-cyclopropyl-1-(2-propoxyphenyl)ethanone?
2-cyclopropyl-1-(2-propoxyphenyl)ethanone has a molecular weight of 218.30 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2-propoxyphenyl)ethanone is sourced from PubChem (CID 104659396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).