2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol

C16H26O2 — CID 66224938

IUPAC2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(C)OCCC(C)(C)C)cc1
InChIInChI=1S/C16H26O2/c1-12-6-8-14(9-7-12)15(17)13(2)18-11-10-16(3,4)5/h6-9,13,15,17H,10-11H2,1-5H3
InChIKeyKQQRNWAATIDKNF-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.87
Rot. Bonds5

About 2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol

2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol (PubChem CID 66224938) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol
PubChem CID66224938
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(C)OCCC(C)(C)C)cc1
InChIInChI=1S/C16H26O2/c1-12-6-8-14(9-7-12)15(17)13(2)18-11-10-16(3,4)5/h6-9,13,15,17H,10-11H2,1-5H3
InChIKeyKQQRNWAATIDKNF-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-dimethylbutoxy)-1-phenylpropan-1-ol
CID 66225387
2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol
CID 66322023
2-(cyclohexylmethoxy)-1-(4-methylphenyl)propan-1-ol
CID 62383408
2-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)propan-1-ol
CID 63935953
2-(3,3-dimethylbutoxy)pentan-3-ol
CID 66225389
1-(4-ethylphenyl)-2-(4,4,4-trifluorobutoxy)propan-1-ol
CID 82789164
N-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956623
(4-methylphenyl)-propoxymethanol
CID 142200249
2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 66234272
2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)propan-1-ol
CID 106203961
2-[2-hydroxyethoxy-(4-methylphenyl)methoxy]ethanol
CID 129088325
5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol
CID 79436768

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol (CID 66224938) is 2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol is Cc1ccc(C(O)C(C)OCCC(C)(C)C)cc1.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol?
The InChIKey is KQQRNWAATIDKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-12-6-8-14(9-7-12)15(17)13(2)18-11-10-16(3,4)5/h6-9,13,15,17H,10-11H2,1-5H3.
What are the key properties of 2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol?
2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 66224938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).