4,4-dimethyl-1-(2-methyl-4-propylphenyl)pent-1-yn-3-ol

C17H24O — CID 143107336

IUPAC4,4-dimethyl-1-(2-methyl-4-propylphenyl)pent-1-yn-3-ol
SMILESCCCc1ccc(C#CC(O)C(C)(C)C)c(C)c1
InChIInChI=1S/C17H24O/c1-6-7-14-8-9-15(13(2)12-14)10-11-16(18)17(3,4)5/h8-9,12,16,18H,6-7H2,1-5H3
InChIKeyGVJQKBKVXZJSPG-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.71
Rot. Bonds2

About 4,4-dimethyl-1-(2-methyl-4-propylphenyl)pent-1-yn-3-ol

4,4-dimethyl-1-(2-methyl-4-propylphenyl)pent-1-yn-3-ol (PubChem CID 143107336) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-methyl-4-propylphenyl)pent-1-yn-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-methyl-4-propylphenyl)pent-1-yn-3-ol
PubChem CID143107336
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name4,4-dimethyl-1-(2-methyl-4-propylphenyl)pent-1-yn-3-ol
SMILESCCCc1ccc(C#CC(O)C(C)(C)C)c(C)c1
InChIInChI=1S/C17H24O/c1-6-7-14-8-9-15(13(2)12-14)10-11-16(18)17(3,4)5/h8-9,12,16,18H,6-7H2,1-5H3
InChIKeyGVJQKBKVXZJSPG-UHFFFAOYSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.71
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-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol
CID 143366321
1-[2-(4-hexylphenyl)ethynyl]-2-methyl-4-[2-(4-propylphenyl)ethynyl]benzene
CID 100957951
2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene
CID 54545030
1-[4-[3-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4,4-dimethylpent-1-yn-3-ol
CID 69335731
1-but-1-ynyl-4-ethyl-2-methylbenzene
CID 145401256
2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene
CID 144633888
4,4-dimethyl-1-(2-methyl-4-propylphenyl)nonan-3-ol
CID 143107044
3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-yn-1-ol
CID 169484952
1-[2-(4-butylphenyl)ethynyl]-2-methyl-4-[2-(4-methylphenyl)ethynyl]benzene
CID 100957938
N,N-diethyl-2-methyl-4-propylbenzenecarbothioamide
CID 87541201
1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol
CID 64514428
2-methyl-5-propylbenzenesulfonic acid
CID 13258131

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-methyl-4-propylphenyl)pent-1-yn-3-ol?
The IUPAC name of 4,4-dimethyl-1-(2-methyl-4-propylphenyl)pent-1-yn-3-ol (CID 143107336) is 4,4-dimethyl-1-(2-methyl-4-propylphenyl)pent-1-yn-3-ol.
What is the SMILES notation for 4,4-dimethyl-1-(2-methyl-4-propylphenyl)pent-1-yn-3-ol?
The canonical SMILES for 4,4-dimethyl-1-(2-methyl-4-propylphenyl)pent-1-yn-3-ol is CCCc1ccc(C#CC(O)C(C)(C)C)c(C)c1.
What is the InChIKey of 4,4-dimethyl-1-(2-methyl-4-propylphenyl)pent-1-yn-3-ol?
The InChIKey is GVJQKBKVXZJSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-6-7-14-8-9-15(13(2)12-14)10-11-16(18)17(3,4)5/h8-9,12,16,18H,6-7H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-(2-methyl-4-propylphenyl)pent-1-yn-3-ol?
4,4-dimethyl-1-(2-methyl-4-propylphenyl)pent-1-yn-3-ol has a molecular weight of 244.38 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-methyl-4-propylphenyl)pent-1-yn-3-ol is sourced from PubChem (CID 143107336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).