1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one

C14H18O3 — CID 116709197

IUPAC1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one
SMILESCOc1ccccc1CC(=O)C(OC)C1CC1
InChIInChI=1S/C14H18O3/c1-16-13-6-4-3-5-11(13)9-12(15)14(17-2)10-7-8-10/h3-6,10,14H,7-9H2,1-2H3
InChIKeyDSDAVRIFHHVCHE-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.23
Rot. Bonds6

About 1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one

1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one (PubChem CID 116709197) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one
PubChem CID116709197
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one
SMILESCOc1ccccc1CC(=O)C(OC)C1CC1
InChIInChI=1S/C14H18O3/c1-16-13-6-4-3-5-11(13)9-12(15)14(17-2)10-7-8-10/h3-6,10,14H,7-9H2,1-2H3
InChIKeyDSDAVRIFHHVCHE-UHFFFAOYSA-N
XLogP2.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol
CID 103456984
1-cyclobutyl-2-(2-methoxyphenyl)ethanone
CID 61079535
3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800224
3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one
CID 116750878
1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one
CID 116709296
2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide
CID 71910234
2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethanone
CID 116709189
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one
CID 116709160
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea
CID 38272161
2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 115997761
2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid
CID 79418094

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one?
The IUPAC name of 1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one (CID 116709197) is 1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one is COc1ccccc1CC(=O)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one?
The InChIKey is DSDAVRIFHHVCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-16-13-6-4-3-5-11(13)9-12(15)14(17-2)10-7-8-10/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one?
1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one has a molecular weight of 234.29 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one is sourced from PubChem (CID 116709197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).