2-methyl-1-(4-propan-2-ylphenyl)butane-1,2-diol

C14H22O2 — CID 103448542

IUPAC2-methyl-1-(4-propan-2-ylphenyl)butane-1,2-diol
SMILESCCC(C)(O)C(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H22O2/c1-5-14(4,16)13(15)12-8-6-11(7-9-12)10(2)3/h6-10,13,15-16H,5H2,1-4H3
InChIKeyMULNGXAHIYLSEJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.00
Rot. Bonds4

About 2-methyl-1-(4-propan-2-ylphenyl)butane-1,2-diol

2-methyl-1-(4-propan-2-ylphenyl)butane-1,2-diol (PubChem CID 103448542) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-1-(4-propan-2-ylphenyl)butane-1,2-diol.

Molecular Properties

Compound Name2-methyl-1-(4-propan-2-ylphenyl)butane-1,2-diol
PubChem CID103448542
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-methyl-1-(4-propan-2-ylphenyl)butane-1,2-diol
SMILESCCC(C)(O)C(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H22O2/c1-5-14(4,16)13(15)12-8-6-11(7-9-12)10(2)3/h6-10,13,15-16H,5H2,1-4H3
InChIKeyMULNGXAHIYLSEJ-UHFFFAOYSA-N
XLogP3.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(4-propan-2-ylphenyl)butane-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

(1R,2S)-2-methyl-1-(4-methylphenyl)butane-1,2-diol
CID 54566569
1-(3-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448822
2,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-one
CID 62678406
1-(2-chlorophenyl)-2-methylbutane-1,2-diol
CID 103448576
1-(4-chlorophenyl)-2-ethylbutane-1,2-diol
CID 103449208
2-methyl-1-(3-propylphenyl)butane-1,2-diol
CID 103448692
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935
2-(4-fluorophenyl)-3-methylpentan-3-ol
CID 54465662
1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol
CID 103448708
2-(4-propan-2-ylphenyl)butan-2-amine
CID 62800595
1-(2-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448745
1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene
CID 163649969

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-propan-2-ylphenyl)butane-1,2-diol?
The IUPAC name of 2-methyl-1-(4-propan-2-ylphenyl)butane-1,2-diol (CID 103448542) is 2-methyl-1-(4-propan-2-ylphenyl)butane-1,2-diol.
What is the SMILES notation for 2-methyl-1-(4-propan-2-ylphenyl)butane-1,2-diol?
The canonical SMILES for 2-methyl-1-(4-propan-2-ylphenyl)butane-1,2-diol is CCC(C)(O)C(O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-1-(4-propan-2-ylphenyl)butane-1,2-diol?
The InChIKey is MULNGXAHIYLSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-14(4,16)13(15)12-8-6-11(7-9-12)10(2)3/h6-10,13,15-16H,5H2,1-4H3.
What are the key properties of 2-methyl-1-(4-propan-2-ylphenyl)butane-1,2-diol?
2-methyl-1-(4-propan-2-ylphenyl)butane-1,2-diol has a molecular weight of 222.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-propan-2-ylphenyl)butane-1,2-diol is sourced from PubChem (CID 103448542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).