2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one

C14H18O2 — CID 114965532

IUPAC2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)C2CC2)c(C)c1
InChIInChI=1S/C14H18O2/c1-9-8-12(16-3)6-7-13(9)14(15)10(2)11-4-5-11/h6-8,10-11H,4-5H2,1-3H3
InChIKeyJBGQWRBPTISBGD-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.23
Rot. Bonds4

About 2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one

2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one (PubChem CID 114965532) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one
PubChem CID114965532
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)C2CC2)c(C)c1
InChIInChI=1S/C14H18O2/c1-9-8-12(16-3)6-7-13(9)14(15)10(2)11-4-5-11/h6-8,10-11H,4-5H2,1-3H3
InChIKeyJBGQWRBPTISBGD-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one
CID 65313346
1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586918
1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one
CID 83154667
2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one
CID 115785456
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 111463007
2-amino-1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-one
CID 116552805
2-(aminomethyl)-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 116573984
2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one
CID 116553575
2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 46307714
1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 65313814
2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid
CID 175669177
4-(4-methoxy-2-methylphenyl)-3-(2-methylpropylamino)-4-oxobutanoic acid
CID 82349839

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one?
The IUPAC name of 2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one (CID 114965532) is 2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one is COc1ccc(C(=O)C(C)C2CC2)c(C)c1.
What is the InChIKey of 2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one?
The InChIKey is JBGQWRBPTISBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-9-8-12(16-3)6-7-13(9)14(15)10(2)11-4-5-11/h6-8,10-11H,4-5H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one?
2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one is sourced from PubChem (CID 114965532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).