(6-hydroxy-1,2-dimethylcyclohexa-2,4-dien-1-yl) acetate

C10H14O3 — CID 174521140

IUPAC(6-hydroxy-1,2-dimethylcyclohexa-2,4-dien-1-yl) acetate
SMILESCC(=O)OC1(C)C(C)=CC=CC1O
InChIInChI=1S/C10H14O3/c1-7-5-4-6-9(12)10(7,3)13-8(2)11/h4-6,9,12H,1-3H3
InChIKeyZEKUSIDLXZGDEG-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.19
Rot. Bonds1

About (6-hydroxy-1,2-dimethylcyclohexa-2,4-dien-1-yl) acetate

(6-hydroxy-1,2-dimethylcyclohexa-2,4-dien-1-yl) acetate (PubChem CID 174521140) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (6-hydroxy-1,2-dimethylcyclohexa-2,4-dien-1-yl) acetate.

Molecular Properties

Compound Name(6-hydroxy-1,2-dimethylcyclohexa-2,4-dien-1-yl) acetate
PubChem CID174521140
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(6-hydroxy-1,2-dimethylcyclohexa-2,4-dien-1-yl) acetate
SMILESCC(=O)OC1(C)C(C)=CC=CC1O
InChIInChI=1S/C10H14O3/c1-7-5-4-6-9(12)10(7,3)13-8(2)11/h4-6,9,12H,1-3H3
InChIKeyZEKUSIDLXZGDEG-UHFFFAOYSA-N
XLogP1.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-1,2-dimethylcyclohexa-2,4-dien-1-yl) acetate?
The IUPAC name of (6-hydroxy-1,2-dimethylcyclohexa-2,4-dien-1-yl) acetate (CID 174521140) is (6-hydroxy-1,2-dimethylcyclohexa-2,4-dien-1-yl) acetate.
What is the SMILES notation for (6-hydroxy-1,2-dimethylcyclohexa-2,4-dien-1-yl) acetate?
The canonical SMILES for (6-hydroxy-1,2-dimethylcyclohexa-2,4-dien-1-yl) acetate is CC(=O)OC1(C)C(C)=CC=CC1O.
What is the InChIKey of (6-hydroxy-1,2-dimethylcyclohexa-2,4-dien-1-yl) acetate?
The InChIKey is ZEKUSIDLXZGDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7-5-4-6-9(12)10(7,3)13-8(2)11/h4-6,9,12H,1-3H3.
What are the key properties of (6-hydroxy-1,2-dimethylcyclohexa-2,4-dien-1-yl) acetate?
(6-hydroxy-1,2-dimethylcyclohexa-2,4-dien-1-yl) acetate has a molecular weight of 182.22 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-1,2-dimethylcyclohexa-2,4-dien-1-yl) acetate is sourced from PubChem (CID 174521140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).