3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol

C14H22O2 — CID 116502564

IUPAC3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol
SMILESCCCc1ccc(C(O)C(C)COC)cc1
InChIInChI=1S/C14H22O2/c1-4-5-12-6-8-13(9-7-12)14(15)11(2)10-16-3/h6-9,11,14-15H,4-5,10H2,1-3H3
InChIKeyJUQBYAFYTCEWMC-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.95
Rot. Bonds6

About 3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol

3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol (PubChem CID 116502564) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol
PubChem CID116502564
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol
SMILESCCCc1ccc(C(O)C(C)COC)cc1
InChIInChI=1S/C14H22O2/c1-4-5-12-6-8-13(9-7-12)14(15)11(2)10-16-3/h6-9,11,14-15H,4-5,10H2,1-3H3
InChIKeyJUQBYAFYTCEWMC-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(4-propylphenyl)butan-1-ol
CID 116710776
1-(3-ethylphenyl)-3-methoxy-2-methylpropan-1-ol
CID 116502579
2-(propylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316044
2-[2-methoxyethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol
CID 82960025
2,2-difluoro-1-[4-(2-methoxyethyl)phenyl]ethanol
CID 104632700
2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316067
3-amino-5-methoxy-1-(4-propylphenyl)pentan-1-ol
CID 103967383
N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 61451468
methyl 3-amino-4-hydroxy-4-(4-propylphenyl)butanoate
CID 82349375
methyl 2-(4-propylphenyl)propanoate
CID 62801402
3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol
CID 171857789
1-(4-propylphenyl)-4-sulfanylbutane-1,2-diol
CID 171873926

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol?
The IUPAC name of 3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol (CID 116502564) is 3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol.
What is the SMILES notation for 3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol?
The canonical SMILES for 3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol is CCCc1ccc(C(O)C(C)COC)cc1.
What is the InChIKey of 3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol?
The InChIKey is JUQBYAFYTCEWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-5-12-6-8-13(9-7-12)14(15)11(2)10-16-3/h6-9,11,14-15H,4-5,10H2,1-3H3.
What are the key properties of 3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol?
3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol is sourced from PubChem (CID 116502564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).