2-(4-chlorophenyl)-6-(3-hydroxy-3-methylbut-1-enyl)-3,5-dimethylbenzene-1,4-diol

C19H21ClO3 — CID 123216051

IUPAC2-(4-chlorophenyl)-6-(3-hydroxy-3-methylbut-1-enyl)-3,5-dimethylbenzene-1,4-diol
SMILESCc1c(O)c(C)c(-c2ccc(Cl)cc2)c(O)c1C=CC(C)(C)O
InChIInChI=1S/C19H21ClO3/c1-11-15(9-10-19(3,4)23)18(22)16(12(2)17(11)21)13-5-7-14(20)8-6-13/h5-10,21-23H,1-4H3
InChIKeyOPQPXJLCMOQRMA-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.82
Rot. Bonds3

About 2-(4-chlorophenyl)-6-(3-hydroxy-3-methylbut-1-enyl)-3,5-dimethylbenzene-1,4-diol

2-(4-chlorophenyl)-6-(3-hydroxy-3-methylbut-1-enyl)-3,5-dimethylbenzene-1,4-diol (PubChem CID 123216051) has the molecular formula C19H21ClO3 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-(3-hydroxy-3-methylbut-1-enyl)-3,5-dimethylbenzene-1,4-diol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-(3-hydroxy-3-methylbut-1-enyl)-3,5-dimethylbenzene-1,4-diol
PubChem CID123216051
Molecular FormulaC19H21ClO3
Molecular Weight332.83 g/mol
Exact Mass332.12
IUPAC Name2-(4-chlorophenyl)-6-(3-hydroxy-3-methylbut-1-enyl)-3,5-dimethylbenzene-1,4-diol
SMILESCc1c(O)c(C)c(-c2ccc(Cl)cc2)c(O)c1C=CC(C)(C)O
InChIInChI=1S/C19H21ClO3/c1-11-15(9-10-19(3,4)23)18(22)16(12(2)17(11)21)13-5-7-14(20)8-6-13/h5-10,21-23H,1-4H3
InChIKeyOPQPXJLCMOQRMA-UHFFFAOYSA-N
XLogP4.82
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-(3-hydroxy-3-methylbut-1-enyl)-3,5-dimethylbenzene-1,4-diol?
The IUPAC name of 2-(4-chlorophenyl)-6-(3-hydroxy-3-methylbut-1-enyl)-3,5-dimethylbenzene-1,4-diol (CID 123216051) is 2-(4-chlorophenyl)-6-(3-hydroxy-3-methylbut-1-enyl)-3,5-dimethylbenzene-1,4-diol.
What is the SMILES notation for 2-(4-chlorophenyl)-6-(3-hydroxy-3-methylbut-1-enyl)-3,5-dimethylbenzene-1,4-diol?
The canonical SMILES for 2-(4-chlorophenyl)-6-(3-hydroxy-3-methylbut-1-enyl)-3,5-dimethylbenzene-1,4-diol is Cc1c(O)c(C)c(-c2ccc(Cl)cc2)c(O)c1C=CC(C)(C)O.
What is the InChIKey of 2-(4-chlorophenyl)-6-(3-hydroxy-3-methylbut-1-enyl)-3,5-dimethylbenzene-1,4-diol?
The InChIKey is OPQPXJLCMOQRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO3/c1-11-15(9-10-19(3,4)23)18(22)16(12(2)17(11)21)13-5-7-14(20)8-6-13/h5-10,21-23H,1-4H3.
What are the key properties of 2-(4-chlorophenyl)-6-(3-hydroxy-3-methylbut-1-enyl)-3,5-dimethylbenzene-1,4-diol?
2-(4-chlorophenyl)-6-(3-hydroxy-3-methylbut-1-enyl)-3,5-dimethylbenzene-1,4-diol has a molecular weight of 332.83 g/mol, XLogP of 4.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-(3-hydroxy-3-methylbut-1-enyl)-3,5-dimethylbenzene-1,4-diol is sourced from PubChem (CID 123216051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).