1-(4-butoxyphenyl)pent-3-yn-1-ol

C15H20O2 — CID 105082482

IUPAC1-(4-butoxyphenyl)pent-3-yn-1-ol
SMILESCC#CCC(O)c1ccc(OCCCC)cc1
InChIInChI=1S/C15H20O2/c1-3-5-7-15(16)13-8-10-14(11-9-13)17-12-6-4-2/h8-11,15-16H,4,6-7,12H2,1-2H3
InChIKeyATQAXIGPQVNKQT-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.31
Rot. Bonds6

About 1-(4-butoxyphenyl)pent-3-yn-1-ol

1-(4-butoxyphenyl)pent-3-yn-1-ol (PubChem CID 105082482) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)pent-3-yn-1-ol.

Molecular Properties

Compound Name1-(4-butoxyphenyl)pent-3-yn-1-ol
PubChem CID105082482
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(4-butoxyphenyl)pent-3-yn-1-ol
SMILESCC#CCC(O)c1ccc(OCCCC)cc1
InChIInChI=1S/C15H20O2/c1-3-5-7-15(16)13-8-10-14(11-9-13)17-12-6-4-2/h8-11,15-16H,4,6-7,12H2,1-2H3
InChIKeyATQAXIGPQVNKQT-UHFFFAOYSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butoxyphenyl)propan-1-ol
CID 19979001
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
1-(4-butoxyphenyl)-N-ethylpent-3-yn-1-amine
CID 105111943
1-(4-but-2-ynoxyphenyl)propan-1-ol
CID 62311750
1-(4-methylphenyl)pent-3-yn-1-ol
CID 15001308
2-bromo-1-(4-octoxyphenyl)ethanol
CID 118331988
1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 82073798
1-(4-butoxyphenyl)-N-methylhex-4-yn-1-amine
CID 105181567
bis(4-octoxyphenyl)methanol
CID 139262063
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 63017882
(1R)-1-(4-octoxyphenyl)ethanol
CID 55223040

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)pent-3-yn-1-ol?
The IUPAC name of 1-(4-butoxyphenyl)pent-3-yn-1-ol (CID 105082482) is 1-(4-butoxyphenyl)pent-3-yn-1-ol.
What is the SMILES notation for 1-(4-butoxyphenyl)pent-3-yn-1-ol?
The canonical SMILES for 1-(4-butoxyphenyl)pent-3-yn-1-ol is CC#CCC(O)c1ccc(OCCCC)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)pent-3-yn-1-ol?
The InChIKey is ATQAXIGPQVNKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-5-7-15(16)13-8-10-14(11-9-13)17-12-6-4-2/h8-11,15-16H,4,6-7,12H2,1-2H3.
What are the key properties of 1-(4-butoxyphenyl)pent-3-yn-1-ol?
1-(4-butoxyphenyl)pent-3-yn-1-ol has a molecular weight of 232.32 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)pent-3-yn-1-ol is sourced from PubChem (CID 105082482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).