(1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol

C12H14O2 — CID 146991450

IUPAC(1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol
SMILESC=C/C(O)=C(/O)c1ccc(C)cc1C
InChIInChI=1S/C12H14O2/c1-4-11(13)12(14)10-6-5-8(2)7-9(10)3/h4-7,13-14H,1H2,2-3H3/b12-11-
InChIKeyAQGSYTOCIYXVER-QXMHVHEDSA-N
MW190.24 g/mol
LogP3.27
Rot. Bonds2

About (1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol

(1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol (PubChem CID 146991450) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol.

Molecular Properties

Compound Name(1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol
PubChem CID146991450
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol
SMILESC=C/C(O)=C(/O)c1ccc(C)cc1C
InChIInChI=1S/C12H14O2/c1-4-11(13)12(14)10-6-5-8(2)7-9(10)3/h4-7,13-14H,1H2,2-3H3/b12-11-
InChIKeyAQGSYTOCIYXVER-QXMHVHEDSA-N
XLogP3.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene
CID 168947702
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene
CID 143717580
(1E)-1-(2,4-dimethylphenyl)buta-1,3-diene-1-sulfinate
CID 146288783
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane
CID 153374164
2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene
CID 144777927
(Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol
CID 126634568
(2,4-dimethylphenyl)-(2-hydroxy-4-methylphenyl)methanone
CID 22951592
1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene
CID 20657013
N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]formamide
CID 166829852
2-[1-(2,4-dimethylphenyl)ethylidene]propanedioic acid
CID 90311592
1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one
CID 11194655
1-ethenyl-2,4-dimethylbenzene
CID 157285903

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol?
The IUPAC name of (1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol (CID 146991450) is (1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol.
What is the SMILES notation for (1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol?
The canonical SMILES for (1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol is C=C/C(O)=C(/O)c1ccc(C)cc1C.
What is the InChIKey of (1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol?
The InChIKey is AQGSYTOCIYXVER-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H14O2/c1-4-11(13)12(14)10-6-5-8(2)7-9(10)3/h4-7,13-14H,1H2,2-3H3/b12-11-.
What are the key properties of (1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol?
(1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol has a molecular weight of 190.24 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol is sourced from PubChem (CID 146991450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).