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

C14H22O2 — CID 65147096

IUPAC1-methoxy-2-methyl-3-(4-propan-2-ylphenyl)propan-2-ol
SMILESCOCC(C)(O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C14H22O2/c1-11(2)13-7-5-12(6-8-13)9-14(3,15)10-16-4/h5-8,11,15H,9-10H2,1-4H3
InChIKeyJBGMFODQCLEROI-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.75
Rot. Bonds5

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

1-methoxy-2-methyl-3-(4-propan-2-ylphenyl)propan-2-ol (PubChem CID 65147096) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-methoxy-2-methyl-3-(4-propan-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-2-methyl-3-(4-propan-2-ylphenyl)propan-2-ol
PubChem CID65147096
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-methoxy-2-methyl-3-(4-propan-2-ylphenyl)propan-2-ol
SMILESCOCC(C)(O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C14H22O2/c1-11(2)13-7-5-12(6-8-13)9-14(3,15)10-16-4/h5-8,11,15H,9-10H2,1-4H3
InChIKeyJBGMFODQCLEROI-UHFFFAOYSA-N
XLogP2.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-3-methoxy-2-methylpropan-2-ol
CID 62535452
2-methyl-1-(4-propan-2-ylphenyl)heptan-2-ol
CID 80557871
1-(2,2-dimethoxypropyl)-4-propan-2-ylbenzene
CID 71733772
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 90501130
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943
1-(4-tert-butylphenyl)-3-ethoxy-2-methylpropan-2-ol
CID 113493295
3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol
CID 116713429
2-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-ol
CID 65145239
1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol
CID 82126479
2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 10688529
1-(4-propan-2-ylphenyl)pentane-2,3-diol
CID 103454563
2-methyl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-ol
CID 102641912

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-3-(4-propan-2-ylphenyl)propan-2-ol?
The IUPAC name of 1-methoxy-2-methyl-3-(4-propan-2-ylphenyl)propan-2-ol (CID 65147096) is 1-methoxy-2-methyl-3-(4-propan-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 1-methoxy-2-methyl-3-(4-propan-2-ylphenyl)propan-2-ol?
The canonical SMILES for 1-methoxy-2-methyl-3-(4-propan-2-ylphenyl)propan-2-ol is COCC(C)(O)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1-methoxy-2-methyl-3-(4-propan-2-ylphenyl)propan-2-ol?
The InChIKey is JBGMFODQCLEROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(2)13-7-5-12(6-8-13)9-14(3,15)10-16-4/h5-8,11,15H,9-10H2,1-4H3.
What are the key properties of 1-methoxy-2-methyl-3-(4-propan-2-ylphenyl)propan-2-ol?
1-methoxy-2-methyl-3-(4-propan-2-ylphenyl)propan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-3-(4-propan-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 65147096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).