4-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol

C15H24O2 — CID 156787448

IUPAC4-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
SMILESCc1cc(O)c(O)cc1C(C)(C)CC(C)(C)C
InChIInChI=1S/C15H24O2/c1-10-7-12(16)13(17)8-11(10)15(5,6)9-14(2,3)4/h7-8,16-17H,9H2,1-6H3
InChIKeyONSHLDNMNCIJCR-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.12
Rot. Bonds2

About 4-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol

4-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol (PubChem CID 156787448) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 4-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
PubChem CID156787448
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name4-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
SMILESCc1cc(O)c(O)cc1C(C)(C)CC(C)(C)C
InChIInChI=1S/C15H24O2/c1-10-7-12(16)13(17)8-11(10)15(5,6)9-14(2,3)4/h7-8,16-17H,9H2,1-6H3
InChIKeyONSHLDNMNCIJCR-UHFFFAOYSA-N
XLogP4.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.12
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'}

Analyze 4-methyl-5-(2,4,4-trimethylpentan-2-yl)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

4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 154203171
4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 521263
2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol
CID 117400999
4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 22734658
5-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 154383350
4-[1-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol
CID 22769774
2,4-ditert-butyl-5-methylphenol
CID 10346
4,5-dimethyl-2-(2-methylbutan-2-yl)phenol
CID 130033349
1,2-bis(2,4,4-trimethylpentan-2-yl)benzene
CID 19766935
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol
CID 130610700
2,4-ditert-butyl-5-methylphenol;titanium
CID 174406764
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 58983865

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol?
The IUPAC name of 4-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol (CID 156787448) is 4-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol.
What is the SMILES notation for 4-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol?
The canonical SMILES for 4-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol is Cc1cc(O)c(O)cc1C(C)(C)CC(C)(C)C.
What is the InChIKey of 4-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol?
The InChIKey is ONSHLDNMNCIJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-7-12(16)13(17)8-11(10)15(5,6)9-14(2,3)4/h7-8,16-17H,9H2,1-6H3.
What are the key properties of 4-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol?
4-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol has a molecular weight of 236.35 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol is sourced from PubChem (CID 156787448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).