1-(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-one

C10H14O2 — CID 141440234

IUPAC1-(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-one
SMILESCC(=O)CC1(O)C=CC=CC1C
InChIInChI=1S/C10H14O2/c1-8-5-3-4-6-10(8,12)7-9(2)11/h3-6,8,12H,7H2,1-2H3
InChIKeyCREIZWYLXNGHNV-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.46
Rot. Bonds2

About 1-(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-one

1-(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-one (PubChem CID 141440234) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-one
PubChem CID141440234
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-one
SMILESCC(=O)CC1(O)C=CC=CC1C
InChIInChI=1S/C10H14O2/c1-8-5-3-4-6-10(8,12)7-9(2)11/h3-6,8,12H,7H2,1-2H3
InChIKeyCREIZWYLXNGHNV-UHFFFAOYSA-N
XLogP1.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-one?
The IUPAC name of 1-(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-one (CID 141440234) is 1-(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-one.
What is the SMILES notation for 1-(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-one?
The canonical SMILES for 1-(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-one is CC(=O)CC1(O)C=CC=CC1C.
What is the InChIKey of 1-(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-one?
The InChIKey is CREIZWYLXNGHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8-5-3-4-6-10(8,12)7-9(2)11/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 1-(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-one?
1-(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-one is sourced from PubChem (CID 141440234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).