5-(3,4-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol

C14H14O4 — CID 142760792

IUPAC5-(3,4-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol
SMILESCc1cc(-c2cc(C)c(O)c(O)c2)cc(O)c1O
InChIInChI=1S/C14H14O4/c1-7-3-9(5-11(15)13(7)17)10-4-8(2)14(18)12(16)6-10/h3-6,15-18H,1-2H3
InChIKeyOSAYNTCWNTVWHD-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.79
Rot. Bonds1

About 5-(3,4-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol

5-(3,4-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol (PubChem CID 142760792) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 5-(3,4-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol.

Molecular Properties

Compound Name5-(3,4-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol
PubChem CID142760792
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name5-(3,4-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol
SMILESCc1cc(-c2cc(C)c(O)c(O)c2)cc(O)c1O
InChIInChI=1S/C14H14O4/c1-7-3-9(5-11(15)13(7)17)10-4-8(2)14(18)12(16)6-10/h3-6,15-18H,1-2H3
InChIKeyOSAYNTCWNTVWHD-UHFFFAOYSA-N
XLogP2.79
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol
CID 130228173
5-(3,4-dimethylphenyl)-3-methylbenzene-1,2-diol
CID 101299097
5-(3,4-dimethylphenyl)benzene-1,2,3-triol
CID 101299815
ethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol
CID 174407562
4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol
CID 21020641
3,4-dihydroxy-5-methylbenzonitrile
CID 101349951
2-ethyl-5-(4-ethyl-3-hydroxy-5-methylphenyl)-3-methylphenol
CID 134165367
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
5-tert-butyl-4-(3,4-dihydroxy-5-methylphenyl)-1,2-dihydropyrazol-3-one
CID 102199130
5-ethenyl-3-methylbenzene-1,2-diol
CID 151306271
2,6-dimethyl-4-(4-sulfanylphenyl)phenol
CID 129086516
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzene-1,2-diol
CID 136993816

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol?
The IUPAC name of 5-(3,4-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol (CID 142760792) is 5-(3,4-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol.
What is the SMILES notation for 5-(3,4-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol?
The canonical SMILES for 5-(3,4-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol is Cc1cc(-c2cc(C)c(O)c(O)c2)cc(O)c1O.
What is the InChIKey of 5-(3,4-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol?
The InChIKey is OSAYNTCWNTVWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-7-3-9(5-11(15)13(7)17)10-4-8(2)14(18)12(16)6-10/h3-6,15-18H,1-2H3.
What are the key properties of 5-(3,4-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol?
5-(3,4-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol has a molecular weight of 246.26 g/mol, XLogP of 2.79, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol is sourced from PubChem (CID 142760792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).