3,4-bis(4-methylphenyl)benzene-1,2-diol

C20H18O2 — CID 175325124

IUPAC3,4-bis(4-methylphenyl)benzene-1,2-diol
SMILESCc1ccc(-c2ccc(O)c(O)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C20H18O2/c1-13-3-7-15(8-4-13)17-11-12-18(21)20(22)19(17)16-9-5-14(2)6-10-16/h3-12,21-22H,1-2H3
InChIKeyFNDRRCJINWAIPN-UHFFFAOYSA-N
MW290.36 g/mol
LogP5.05
Rot. Bonds2

About 3,4-bis(4-methylphenyl)benzene-1,2-diol

3,4-bis(4-methylphenyl)benzene-1,2-diol (PubChem CID 175325124) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3,4-bis(4-methylphenyl)benzene-1,2-diol.

Molecular Properties

Compound Name3,4-bis(4-methylphenyl)benzene-1,2-diol
PubChem CID175325124
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name3,4-bis(4-methylphenyl)benzene-1,2-diol
SMILESCc1ccc(-c2ccc(O)c(O)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C20H18O2/c1-13-3-7-15(8-4-13)17-11-12-18(21)20(22)19(17)16-9-5-14(2)6-10-16/h3-12,21-22H,1-2H3
InChIKeyFNDRRCJINWAIPN-UHFFFAOYSA-N
XLogP5.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.36
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-methylphenyl)benzene-1,2-diol?
The IUPAC name of 3,4-bis(4-methylphenyl)benzene-1,2-diol (CID 175325124) is 3,4-bis(4-methylphenyl)benzene-1,2-diol.
What is the SMILES notation for 3,4-bis(4-methylphenyl)benzene-1,2-diol?
The canonical SMILES for 3,4-bis(4-methylphenyl)benzene-1,2-diol is Cc1ccc(-c2ccc(O)c(O)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 3,4-bis(4-methylphenyl)benzene-1,2-diol?
The InChIKey is FNDRRCJINWAIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-13-3-7-15(8-4-13)17-11-12-18(21)20(22)19(17)16-9-5-14(2)6-10-16/h3-12,21-22H,1-2H3.
What are the key properties of 3,4-bis(4-methylphenyl)benzene-1,2-diol?
3,4-bis(4-methylphenyl)benzene-1,2-diol has a molecular weight of 290.36 g/mol, XLogP of 5.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-methylphenyl)benzene-1,2-diol is sourced from PubChem (CID 175325124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).