2-methyl-1-(4-propylphenyl)propane-1,2-diol

C13H20O2 — CID 103449002

IUPAC2-methyl-1-(4-propylphenyl)propane-1,2-diol
SMILESCCCc1ccc(C(O)C(C)(C)O)cc1
InChIInChI=1S/C13H20O2/c1-4-5-10-6-8-11(9-7-10)12(14)13(2,3)15/h6-9,12,14-15H,4-5H2,1-3H3
InChIKeyUDCKFVMYQCDENH-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.44
Rot. Bonds4

About 2-methyl-1-(4-propylphenyl)propane-1,2-diol

2-methyl-1-(4-propylphenyl)propane-1,2-diol (PubChem CID 103449002) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-methyl-1-(4-propylphenyl)propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-1-(4-propylphenyl)propane-1,2-diol
PubChem CID103449002
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-methyl-1-(4-propylphenyl)propane-1,2-diol
SMILESCCCc1ccc(C(O)C(C)(C)O)cc1
InChIInChI=1S/C13H20O2/c1-4-5-10-6-8-11(9-7-10)12(14)13(2,3)15/h6-9,12,14-15H,4-5H2,1-3H3
InChIKeyUDCKFVMYQCDENH-UHFFFAOYSA-N
XLogP2.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol
CID 114211492
2-methyl-1-(4-methylphenyl)propane-1,2-diol
CID 10535384
2,2-dimethyl-1-(4-propylphenyl)propan-1-amine
CID 43198125
2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol
CID 79060249
1-(4-propylphenyl)prop-2-en-1-ol
CID 83635929
1,2-bis(4-propylphenyl)ethane-1,2-dithiol
CID 101102622
5-hydroxy-5-(4-propylphenyl)pentanoic acid
CID 43117855
2-(methylamino)-1-(4-propylphenyl)ethanol
CID 64988870
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
5-(4-propylphenyl)hexane-2,3-diol
CID 83921595
3-methyl-1-(4-propylphenyl)pentan-1-ol
CID 114875906
(4-methylsulfanylphenyl)-(4-propylphenyl)methanol
CID 79217067

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-propylphenyl)propane-1,2-diol?
The IUPAC name of 2-methyl-1-(4-propylphenyl)propane-1,2-diol (CID 103449002) is 2-methyl-1-(4-propylphenyl)propane-1,2-diol.
What is the SMILES notation for 2-methyl-1-(4-propylphenyl)propane-1,2-diol?
The canonical SMILES for 2-methyl-1-(4-propylphenyl)propane-1,2-diol is CCCc1ccc(C(O)C(C)(C)O)cc1.
What is the InChIKey of 2-methyl-1-(4-propylphenyl)propane-1,2-diol?
The InChIKey is UDCKFVMYQCDENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-5-10-6-8-11(9-7-10)12(14)13(2,3)15/h6-9,12,14-15H,4-5H2,1-3H3.
What are the key properties of 2-methyl-1-(4-propylphenyl)propane-1,2-diol?
2-methyl-1-(4-propylphenyl)propane-1,2-diol has a molecular weight of 208.30 g/mol, XLogP of 2.44, 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-propylphenyl)propane-1,2-diol is sourced from PubChem (CID 103449002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).