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

C12H14O — CID 15001308

IUPAC1-(4-methylphenyl)pent-3-yn-1-ol
SMILESCC#CCC(O)c1ccc(C)cc1
InChIInChI=1S/C12H14O/c1-3-4-5-12(13)11-8-6-10(2)7-9-11/h6-9,12-13H,5H2,1-2H3
InChIKeyZRCNAEZRPFFDNO-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.44
Rot. Bonds2

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

1-(4-methylphenyl)pent-3-yn-1-ol (PubChem CID 15001308) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(4-methylphenyl)pent-3-yn-1-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)pent-3-yn-1-ol
PubChem CID15001308
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-(4-methylphenyl)pent-3-yn-1-ol
SMILESCC#CCC(O)c1ccc(C)cc1
InChIInChI=1S/C12H14O/c1-3-4-5-12(13)11-8-6-10(2)7-9-11/h6-9,12-13H,5H2,1-2H3
InChIKeyZRCNAEZRPFFDNO-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butoxyphenyl)pent-3-yn-1-ol
CID 105082482
1-(5-methylfuran-3-yl)pent-3-yn-1-ol
CID 115779861
(1S)-1-(furan-3-yl)pent-3-yn-1-ol
CID 11321039
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103
(1R)-2-chloro-1-(4-methylphenyl)ethanol
CID 79006103
2-amino-1-(4-methylphenyl)ethanol;ethane
CID 145260878
(1S,3R)-1-(4-methylphenyl)butane-1,3-diol
CID 101168301
(1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol
CID 139087432
1-(5-bromothiophen-3-yl)pent-3-yn-1-ol
CID 105082386
1-[3-(dimethylamino)phenyl]pent-3-yn-1-ol
CID 105082393
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
(5R)-5-hydroxy-5-(4-methylphenyl)pentanenitrile
CID 163146166

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)pent-3-yn-1-ol?
The IUPAC name of 1-(4-methylphenyl)pent-3-yn-1-ol (CID 15001308) is 1-(4-methylphenyl)pent-3-yn-1-ol.
What is the SMILES notation for 1-(4-methylphenyl)pent-3-yn-1-ol?
The canonical SMILES for 1-(4-methylphenyl)pent-3-yn-1-ol is CC#CCC(O)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)pent-3-yn-1-ol?
The InChIKey is ZRCNAEZRPFFDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-3-4-5-12(13)11-8-6-10(2)7-9-11/h6-9,12-13H,5H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)pent-3-yn-1-ol?
1-(4-methylphenyl)pent-3-yn-1-ol has a molecular weight of 174.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)pent-3-yn-1-ol is sourced from PubChem (CID 15001308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).