2-hydroxy-2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-1-one

C13H20O2 — CID 70423726

IUPAC2-hydroxy-2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-1-one
SMILESCC(C)C1(C(=O)C(C)(C)O)C=CC=CC1
InChIInChI=1S/C13H20O2/c1-10(2)13(8-6-5-7-9-13)11(14)12(3,4)15/h5-8,10,15H,9H2,1-4H3
InChIKeyWOYZMSJYMVYKLQ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.48
Rot. Bonds3

About 2-hydroxy-2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-1-one

2-hydroxy-2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-1-one (PubChem CID 70423726) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-1-one
PubChem CID70423726
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-hydroxy-2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-1-one
SMILESCC(C)C1(C(=O)C(C)(C)O)C=CC=CC1
InChIInChI=1S/C13H20O2/c1-10(2)13(8-6-5-7-9-13)11(14)12(3,4)15/h5-8,10,15H,9H2,1-4H3
InChIKeyWOYZMSJYMVYKLQ-UHFFFAOYSA-N
XLogP2.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-1-one (CID 70423726) is 2-hydroxy-2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-1-one is CC(C)C1(C(=O)C(C)(C)O)C=CC=CC1.
What is the InChIKey of 2-hydroxy-2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-1-one?
The InChIKey is WOYZMSJYMVYKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10(2)13(8-6-5-7-9-13)11(14)12(3,4)15/h5-8,10,15H,9H2,1-4H3.
What are the key properties of 2-hydroxy-2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-1-one?
2-hydroxy-2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-1-one has a molecular weight of 208.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-1-one is sourced from PubChem (CID 70423726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).