1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol

C16H26O2 — CID 105089027

IUPAC1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol
SMILESCCCOCCC(O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H26O2/c1-4-10-18-11-9-16(17)12-14-5-7-15(8-6-14)13(2)3/h5-8,13,16-17H,4,9-12H2,1-3H3
InChIKeyZBBKUSGKGHSZEG-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.53
Rot. Bonds8

About 1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol

1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol (PubChem CID 105089027) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol
PubChem CID105089027
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol
SMILESCCCOCCC(O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H26O2/c1-4-10-18-11-9-16(17)12-14-5-7-15(8-6-14)13(2)3/h5-8,13,16-17H,4,9-12H2,1-3H3
InChIKeyZBBKUSGKGHSZEG-UHFFFAOYSA-N
XLogP3.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-4-propoxybutan-2-ol
CID 105076516
4-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 105080275
1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol
CID 63685305
4-propoxy-1-pyridin-3-ylbutan-2-ol
CID 105125026
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
CID 105144803
4-ethoxy-1-(4-methoxyphenyl)butan-2-ol
CID 62606919
1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol
CID 105087659
1-(4-iodophenyl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927712
1-(4-propan-2-ylphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105144826
1-(4-propan-2-ylphenyl)pentane-2,3-diol
CID 103454563
1-(dimethylamino)-3-(4-propan-2-ylphenyl)propan-2-ol
CID 79086807
1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol
CID 105082825

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol?
The IUPAC name of 1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol (CID 105089027) is 1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol is CCCOCCC(O)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol?
The InChIKey is ZBBKUSGKGHSZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-4-10-18-11-9-16(17)12-14-5-7-15(8-6-14)13(2)3/h5-8,13,16-17H,4,9-12H2,1-3H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol?
1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol has a molecular weight of 250.38 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol is sourced from PubChem (CID 105089027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).