1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol

C16H26O2 — CID 64541572

IUPAC1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol
SMILESCCOC(C)C(O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26O2/c1-6-18-12(2)15(17)11-13-7-9-14(10-8-13)16(3,4)5/h7-10,12,15,17H,6,11H2,1-5H3
InChIKeyARTYPIWPOUZECQ-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.31
Rot. Bonds5

About 1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol

1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol (PubChem CID 64541572) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol
PubChem CID64541572
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol
SMILESCCOC(C)C(O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26O2/c1-6-18-12(2)15(17)11-13-7-9-14(10-8-13)16(3,4)5/h7-10,12,15,17H,6,11H2,1-5H3
InChIKeyARTYPIWPOUZECQ-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 64541532
1-tert-butyl-4-(2,2-diethoxyethyl)benzene
CID 119030887
3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol
CID 142040255
3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol
CID 116713429
5-(4-tert-butylphenyl)-4-methylpentan-2-ol
CID 64719679
1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol
CID 79495839
3-(4-tert-butylphenyl)-1-phenylpropane-1,2-diol
CID 103459420
diethyl 2-[(4-tert-butylphenyl)methyl]propanedioate
CID 15767037
ethyl (3S)-4-(4-tert-butylphenyl)-3-hydroxybutanoate
CID 125465976
3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 64541975
3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 64541540
1-tert-butyl-4-(2-methylbutyl)benzene;ethane
CID 156874515

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol (CID 64541572) is 1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol is CCOC(C)C(O)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol?
The InChIKey is ARTYPIWPOUZECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-6-18-12(2)15(17)11-13-7-9-14(10-8-13)16(3,4)5/h7-10,12,15,17H,6,11H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol?
1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol has a molecular weight of 250.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol is sourced from PubChem (CID 64541572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).