1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol

C16H26O3 — CID 63685305

IUPAC1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol
SMILESCCCOCCOCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H26O3/c1-4-9-18-10-11-19-12-16(17)15-7-5-14(6-8-15)13(2)3/h5-8,13,16-17H,4,9-12H2,1-3H3
InChIKeyPYEXPQVWCGYYEX-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.29
Rot. Bonds9

About 1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol

1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol (PubChem CID 63685305) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol
PubChem CID63685305
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol
SMILESCCCOCCOCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H26O3/c1-4-9-18-10-11-19-12-16(17)15-7-5-14(6-8-15)13(2)3/h5-8,13,16-17H,4,9-12H2,1-3H3
InChIKeyPYEXPQVWCGYYEX-UHFFFAOYSA-N
XLogP3.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-2-propoxyethanol
CID 62539379
1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol
CID 43531596
1-(4-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114519020
2-[2-(2-methoxyethoxy)ethoxy]-1-(4-propan-2-yloxyphenyl)ethanol
CID 104564711
1-[3-(difluoromethyl)phenyl]-2-propoxyethanol
CID 115527685
1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol
CID 105089027
1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene
CID 176559998
1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 62797147
1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol
CID 55233858
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(4-sulfanylphenyl)ethanol
CID 159241183
3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol
CID 62607398
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
CID 105144803

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol?
The IUPAC name of 1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol (CID 63685305) is 1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol is CCCOCCOCC(O)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol?
The InChIKey is PYEXPQVWCGYYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-4-9-18-10-11-19-12-16(17)15-7-5-14(6-8-15)13(2)3/h5-8,13,16-17H,4,9-12H2,1-3H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol?
1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol has a molecular weight of 266.38 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol is sourced from PubChem (CID 63685305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).