1-cyclopropyl-2-(4-hydroxy-3-methylphenyl)ethanone

C12H14O2 — CID 118270884

IUPAC1-cyclopropyl-2-(4-hydroxy-3-methylphenyl)ethanone
SMILESCc1cc(CC(=O)C2CC2)ccc1O
InChIInChI=1S/C12H14O2/c1-8-6-9(2-5-11(8)13)7-12(14)10-3-4-10/h2,5-6,10,13H,3-4,7H2,1H3
InChIKeyZCWHUOWCNBKHFI-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.22
Rot. Bonds3

About 1-cyclopropyl-2-(4-hydroxy-3-methylphenyl)ethanone

1-cyclopropyl-2-(4-hydroxy-3-methylphenyl)ethanone (PubChem CID 118270884) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-hydroxy-3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-hydroxy-3-methylphenyl)ethanone
PubChem CID118270884
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-cyclopropyl-2-(4-hydroxy-3-methylphenyl)ethanone
SMILESCc1cc(CC(=O)C2CC2)ccc1O
InChIInChI=1S/C12H14O2/c1-8-6-9(2-5-11(8)13)7-12(14)10-3-4-10/h2,5-6,10,13H,3-4,7H2,1H3
InChIKeyZCWHUOWCNBKHFI-UHFFFAOYSA-N
XLogP2.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-hydroxy-3-methylphenyl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(4-hydroxy-3-methylphenyl)ethanone (CID 118270884) is 1-cyclopropyl-2-(4-hydroxy-3-methylphenyl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(4-hydroxy-3-methylphenyl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(4-hydroxy-3-methylphenyl)ethanone is Cc1cc(CC(=O)C2CC2)ccc1O.
What is the InChIKey of 1-cyclopropyl-2-(4-hydroxy-3-methylphenyl)ethanone?
The InChIKey is ZCWHUOWCNBKHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-6-9(2-5-11(8)13)7-12(14)10-3-4-10/h2,5-6,10,13H,3-4,7H2,1H3.
What are the key properties of 1-cyclopropyl-2-(4-hydroxy-3-methylphenyl)ethanone?
1-cyclopropyl-2-(4-hydroxy-3-methylphenyl)ethanone has a molecular weight of 190.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-hydroxy-3-methylphenyl)ethanone is sourced from PubChem (CID 118270884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).