6-hydroxy-6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-one

C10H12O2 — CID 175170748

IUPAC6-hydroxy-6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-one
SMILESC=C(C)C1=CC(C)(O)C(=O)C=C1
InChIInChI=1S/C10H12O2/c1-7(2)8-4-5-9(11)10(3,12)6-8/h4-6,12H,1H2,2-3H3
InChIKeyHDCYVBYMGMFPND-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.38
Rot. Bonds1

About 6-hydroxy-6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-one

6-hydroxy-6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-one (PubChem CID 175170748) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 6-hydroxy-6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-hydroxy-6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-one
PubChem CID175170748
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name6-hydroxy-6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-one
SMILESC=C(C)C1=CC(C)(O)C(=O)C=C1
InChIInChI=1S/C10H12O2/c1-7(2)8-4-5-9(11)10(3,12)6-8/h4-6,12H,1H2,2-3H3
InChIKeyHDCYVBYMGMFPND-UHFFFAOYSA-N
XLogP1.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-one?
The IUPAC name of 6-hydroxy-6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-one (CID 175170748) is 6-hydroxy-6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-hydroxy-6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-hydroxy-6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-one is C=C(C)C1=CC(C)(O)C(=O)C=C1.
What is the InChIKey of 6-hydroxy-6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-one?
The InChIKey is HDCYVBYMGMFPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7(2)8-4-5-9(11)10(3,12)6-8/h4-6,12H,1H2,2-3H3.
What are the key properties of 6-hydroxy-6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-one?
6-hydroxy-6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-one has a molecular weight of 164.20 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 175170748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).