1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol

C17H28O2 — CID 116711399

IUPAC1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol
SMILESCCCC(OCC)C(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28O2/c1-6-8-15(19-7-2)16(18)13-9-11-14(12-10-13)17(3,4)5/h9-12,15-16,18H,6-8H2,1-5H3
InChIKeyGHDALYMQCORMDT-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.22
Rot. Bonds6

About 1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol

1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol (PubChem CID 116711399) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol
PubChem CID116711399
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol
SMILESCCCC(OCC)C(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28O2/c1-6-8-15(19-7-2)16(18)13-9-11-14(12-10-13)17(3,4)5/h9-12,15-16,18H,6-8H2,1-5H3
InChIKeyGHDALYMQCORMDT-UHFFFAOYSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(4-methylphenyl)pentan-1-ol
CID 116711377
1-(4-chlorophenyl)-2-ethoxypentan-1-ol
CID 116711364
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
2-ethoxy-1-(3-methylphenyl)pentan-1-ol
CID 116711307
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol
CID 116711365
ethyl 2-[(4-tert-butylphenyl)-hydroxymethyl]-3-methylbutanoate
CID 62399198
1-(4-tert-butylphenyl)-2-ethylbutan-1-ol
CID 63426874
2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol
CID 116711503
1-(4-tert-butylphenyl)pentan-1-ol
CID 22486867
ethyl (2S)-2-(4-tert-butylphenyl)-2-hydroxyacetate
CID 94376486
(1S,2S)-2-ethoxy-1-[4-(2-hydroxyethoxy)phenyl]butane-1,4-diol
CID 23976788
1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine
CID 116716499

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol (CID 116711399) is 1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol is CCCC(OCC)C(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol?
The InChIKey is GHDALYMQCORMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-6-8-15(19-7-2)16(18)13-9-11-14(12-10-13)17(3,4)5/h9-12,15-16,18H,6-8H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol?
1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol is sourced from PubChem (CID 116711399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).