(Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol

C18H20O2 — CID 126634568

IUPAC(Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol
SMILESCc1ccc(C)c(/C(O)=C(/O)c2cc(C)ccc2C)c1
InChIInChI=1S/C18H20O2/c1-11-5-7-13(3)15(9-11)17(19)18(20)16-10-12(2)6-8-14(16)4/h5-10,19-20H,1-4H3/b18-17-
InChIKeyBZUYZZRWAGQJFK-ZCXUNETKSA-N
MW268.36 g/mol
LogP4.86
Rot. Bonds2

About (Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol

(Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol (PubChem CID 126634568) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol.

Molecular Properties

Compound Name(Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol
PubChem CID126634568
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol
SMILESCc1ccc(C)c(/C(O)=C(/O)c2cc(C)ccc2C)c1
InChIInChI=1S/C18H20O2/c1-11-5-7-13(3)15(9-11)17(19)18(20)16-10-12(2)6-8-14(16)4/h5-10,19-20H,1-4H3/b18-17-
InChIKeyBZUYZZRWAGQJFK-ZCXUNETKSA-N
XLogP4.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(2,5-dimethylphenyl)prop-1-en-1-amine
CID 144516209
aluminum tris(2,5-dimethylbenzoate)
CID 22604903
benzoyl 2,5-dimethylbenzoate
CID 87941827
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
(E)-2,3-dichloro-4-(2,5-dimethylphenyl)-4-oxobut-2-enoic acid
CID 2780047
1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene
CID 167484189
2-bromo-1-(2,5-dimethylphenyl)-2-methylpropan-1-one
CID 121000550
(Z)-2-(2,5-dimethylphenyl)but-2-enenitrile
CID 82074810
1,4-dimethyl-2-[1-(2-methylphenyl)prop-1-enyl]benzene
CID 90922065
N',2,5-trimethylbenzohydrazide
CID 116846828
2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine
CID 9017468
1,2,4-trimethylbenzene
CID 7247

Frequently Asked Questions

What is the IUPAC name of (Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol?
The IUPAC name of (Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol (CID 126634568) is (Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol.
What is the SMILES notation for (Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol?
The canonical SMILES for (Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol is Cc1ccc(C)c(/C(O)=C(/O)c2cc(C)ccc2C)c1.
What is the InChIKey of (Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol?
The InChIKey is BZUYZZRWAGQJFK-ZCXUNETKSA-N. The full InChI is InChI=1S/C18H20O2/c1-11-5-7-13(3)15(9-11)17(19)18(20)16-10-12(2)6-8-14(16)4/h5-10,19-20H,1-4H3/b18-17-.
What are the key properties of (Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol?
(Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol has a molecular weight of 268.36 g/mol, XLogP of 4.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol is sourced from PubChem (CID 126634568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).