4-(4-propylphenyl)butan-1-ol

C13H20O — CID 10511962

IUPAC4-(4-propylphenyl)butan-1-ol
SMILESCCCc1ccc(CCCCO)cc1
InChIInChI=1S/C13H20O/c1-2-5-12-7-9-13(10-8-12)6-3-4-11-14/h7-10,14H,2-6,11H2,1H3
InChIKeySTSVECUUYQSJSP-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.95
Rot. Bonds6

About 4-(4-propylphenyl)butan-1-ol

4-(4-propylphenyl)butan-1-ol (PubChem CID 10511962) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-(4-propylphenyl)butan-1-ol.

Molecular Properties

Compound Name4-(4-propylphenyl)butan-1-ol
PubChem CID10511962
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4-(4-propylphenyl)butan-1-ol
SMILESCCCc1ccc(CCCCO)cc1
InChIInChI=1S/C13H20O/c1-2-5-12-7-9-13(10-8-12)6-3-4-11-14/h7-10,14H,2-6,11H2,1H3
InChIKeySTSVECUUYQSJSP-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
6-(4-propylanilino)hexan-1-ol
CID 103868001
4-(12-hydroxydodecyl)phenol
CID 139809285
4-[4-(methylamino)phenyl]butan-1-ol
CID 69404104
8-[4-(diethylamino)phenyl]octan-1-ol
CID 163869246
3-[3-hydroxypropyl-[(4-propylphenyl)methyl]amino]propan-1-ol
CID 19065805
3-[(4-propylphenyl)methylamino]propan-1-ol
CID 94681283
4-[(4-nonylphenyl)methylamino]butan-1-ol
CID 70951495
4-[4-[4-(4-hydroxybutyl)phenyl]arsanylphenyl]butan-1-ol
CID 173421421
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
6-(4-propylphenyl)hexan-1-amine
CID 65300510
6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol
CID 71362156

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylphenyl)butan-1-ol?
The IUPAC name of 4-(4-propylphenyl)butan-1-ol (CID 10511962) is 4-(4-propylphenyl)butan-1-ol.
What is the SMILES notation for 4-(4-propylphenyl)butan-1-ol?
The canonical SMILES for 4-(4-propylphenyl)butan-1-ol is CCCc1ccc(CCCCO)cc1.
What is the InChIKey of 4-(4-propylphenyl)butan-1-ol?
The InChIKey is STSVECUUYQSJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-2-5-12-7-9-13(10-8-12)6-3-4-11-14/h7-10,14H,2-6,11H2,1H3.
What are the key properties of 4-(4-propylphenyl)butan-1-ol?
4-(4-propylphenyl)butan-1-ol has a molecular weight of 192.30 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylphenyl)butan-1-ol is sourced from PubChem (CID 10511962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).