6-(3-hydroxyphenyl)-3,4-dimethylbenzene-1,2-diol

C14H14O3 — CID 101299842

IUPAC6-(3-hydroxyphenyl)-3,4-dimethylbenzene-1,2-diol
SMILESCc1cc(-c2cccc(O)c2)c(O)c(O)c1C
InChIInChI=1S/C14H14O3/c1-8-6-12(14(17)13(16)9(8)2)10-4-3-5-11(15)7-10/h3-7,15-17H,1-2H3
InChIKeyUVIYZNJFEPYNPI-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.09
Rot. Bonds1

About 6-(3-hydroxyphenyl)-3,4-dimethylbenzene-1,2-diol

6-(3-hydroxyphenyl)-3,4-dimethylbenzene-1,2-diol (PubChem CID 101299842) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 6-(3-hydroxyphenyl)-3,4-dimethylbenzene-1,2-diol.

Molecular Properties

Compound Name6-(3-hydroxyphenyl)-3,4-dimethylbenzene-1,2-diol
PubChem CID101299842
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name6-(3-hydroxyphenyl)-3,4-dimethylbenzene-1,2-diol
SMILESCc1cc(-c2cccc(O)c2)c(O)c(O)c1C
InChIInChI=1S/C14H14O3/c1-8-6-12(14(17)13(16)9(8)2)10-4-3-5-11(15)7-10/h3-7,15-17H,1-2H3
InChIKeyUVIYZNJFEPYNPI-UHFFFAOYSA-N
XLogP3.09
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-(3-hydroxyphenyl)-2,6-dimethylbenzene-1,3-diol
CID 101299851
3-(3,4,5-trimethylphenyl)phenol
CID 101298838
3-(2,3,4-trimethylphenyl)phenol
CID 101298831
3-(2,4-dimethylphenyl)phenol
CID 53218508
3-[5-(3-hydroxyphenyl)-3,4-dimethylfuran-2-yl]phenol
CID 139763910
5-(2-hydroxy-3,4,5-trimethylphenyl)benzene-1,3-diol
CID 101299649
3-(2,3-dimethyl-4-pyridinyl)phenol
CID 20564329
3-(3-hydroxyphenyl)-2-methylbenzoic acid
CID 53224960
3-(3-hydroxyphenyl)-4-methylbenzaldehyde
CID 39231630
3-[2-[10-[2-(3-hydroxyphenyl)phenyl]-9,10-dimethylanthracen-9-yl]phenyl]phenol
CID 134212470
3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol
CID 14911479
3-(3-hydroxyphenyl)bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;propan-1-ol
CID 21405734

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyphenyl)-3,4-dimethylbenzene-1,2-diol?
The IUPAC name of 6-(3-hydroxyphenyl)-3,4-dimethylbenzene-1,2-diol (CID 101299842) is 6-(3-hydroxyphenyl)-3,4-dimethylbenzene-1,2-diol.
What is the SMILES notation for 6-(3-hydroxyphenyl)-3,4-dimethylbenzene-1,2-diol?
The canonical SMILES for 6-(3-hydroxyphenyl)-3,4-dimethylbenzene-1,2-diol is Cc1cc(-c2cccc(O)c2)c(O)c(O)c1C.
What is the InChIKey of 6-(3-hydroxyphenyl)-3,4-dimethylbenzene-1,2-diol?
The InChIKey is UVIYZNJFEPYNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-8-6-12(14(17)13(16)9(8)2)10-4-3-5-11(15)7-10/h3-7,15-17H,1-2H3.
What are the key properties of 6-(3-hydroxyphenyl)-3,4-dimethylbenzene-1,2-diol?
6-(3-hydroxyphenyl)-3,4-dimethylbenzene-1,2-diol has a molecular weight of 230.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyphenyl)-3,4-dimethylbenzene-1,2-diol is sourced from PubChem (CID 101299842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).