3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol

C15H24O2 — CID 142040255

IUPAC3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol
SMILESCOC(O)C(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24O2/c1-11(14(16)17-5)10-12-6-8-13(9-7-12)15(2,3)4/h6-9,11,14,16H,10H2,1-5H3
InChIKeyLBDJVENZXTWAKA-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.13
Rot. Bonds4

About 3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol

3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol (PubChem CID 142040255) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol
PubChem CID142040255
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol
SMILESCOC(O)C(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24O2/c1-11(14(16)17-5)10-12-6-8-13(9-7-12)15(2,3)4/h6-9,11,14,16H,10H2,1-5H3
InChIKeyLBDJVENZXTWAKA-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol
CID 64541572
5-(4-tert-butylphenyl)-4-methylpentan-2-ol
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(2R)-3-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-ol
CID 94905405
4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015179
1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine
CID 105136196
1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol
CID 63410107
1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-ol
CID 117114478
1-tert-butyl-4-(2,2-diethoxyethyl)benzene
CID 119030887
1-tert-butyl-4-(2-methylbutyl)benzene;ethane
CID 156874515
[1-(4-tert-butylphenyl)-3-methoxypropan-2-yl]hydrazine
CID 105207262
3-(4-tert-butylphenyl)-2-hydroxypropanamide
CID 69343223
2-(4-tert-butylphenyl)-1-cyclopropylethanol
CID 62608769

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol?
The IUPAC name of 3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol (CID 142040255) is 3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol is COC(O)C(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol?
The InChIKey is LBDJVENZXTWAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(14(16)17-5)10-12-6-8-13(9-7-12)15(2,3)4/h6-9,11,14,16H,10H2,1-5H3.
What are the key properties of 3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol?
3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol is sourced from PubChem (CID 142040255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).