ethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol

C16H20O3 — CID 174407562

IUPACethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol
SMILESCC.Cc1cc(-c2ccc(O)c(O)c2)cc(C)c1O
InChIInChI=1S/C14H14O3.C2H6/c1-8-5-11(6-9(2)14(8)17)10-3-4-12(15)13(16)7-10;1-2/h3-7,15-17H,1-2H3;1-2H3
InChIKeyIRFPOHISEJSOGW-UHFFFAOYSA-N
MW260.33 g/mol
LogP4.11
Rot. Bonds1

About ethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol

ethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol (PubChem CID 174407562) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is ethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol.

Molecular Properties

Compound Nameethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol
PubChem CID174407562
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Nameethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol
SMILESCC.Cc1cc(-c2ccc(O)c(O)c2)cc(C)c1O
InChIInChI=1S/C14H14O3.C2H6/c1-8-5-11(6-9(2)14(8)17)10-3-4-12(15)13(16)7-10;1-2/h3-7,15-17H,1-2H3;1-2H3
InChIKeyIRFPOHISEJSOGW-UHFFFAOYSA-N
XLogP4.11
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 54.11
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'}

Analyze ethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol
CID 142760792
5-(3,4-dimethylphenyl)benzene-1,2,3-triol
CID 101299815
4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol
CID 21020641
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
4-(2-hydroxy-3,6-dimethylphenyl)benzene-1,2-diol
CID 101299442
2,6-dimethyl-4-(4-sulfanylphenyl)phenol
CID 129086516
3,4-bis(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol
CID 151204371
5-(3-hydroxy-4-methylphenyl)-2-methylphenol
CID 22942672
4-(4-hydroxy-3,5-dimethylphenyl)-2,3-dimethylphenol
CID 139788678
4-(3-methylphenyl)benzene-1,2-diol
CID 101298846

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol?
The IUPAC name of ethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol (CID 174407562) is ethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol.
What is the SMILES notation for ethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol?
The canonical SMILES for ethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol is CC.Cc1cc(-c2ccc(O)c(O)c2)cc(C)c1O.
What is the InChIKey of ethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol?
The InChIKey is IRFPOHISEJSOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3.C2H6/c1-8-5-11(6-9(2)14(8)17)10-3-4-12(15)13(16)7-10;1-2/h3-7,15-17H,1-2H3;1-2H3.
What are the key properties of ethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol?
ethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol has a molecular weight of 260.33 g/mol, XLogP of 4.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol is sourced from PubChem (CID 174407562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).