5-(4-tert-butylphenyl)pent-4-yn-1-ol

C15H20O — CID 22320751

IUPAC5-(4-tert-butylphenyl)pent-4-yn-1-ol
SMILESCC(C)(C)c1ccc(C#CCCCO)cc1
InChIInChI=1S/C15H20O/c1-15(2,3)14-10-8-13(9-11-14)7-5-4-6-12-16/h8-11,16H,4,6,12H2,1-3H3
InChIKeyMEZODOGJGJCHQB-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.11
Rot. Bonds2

About 5-(4-tert-butylphenyl)pent-4-yn-1-ol

5-(4-tert-butylphenyl)pent-4-yn-1-ol (PubChem CID 22320751) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)pent-4-yn-1-ol.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)pent-4-yn-1-ol
PubChem CID22320751
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name5-(4-tert-butylphenyl)pent-4-yn-1-ol
SMILESCC(C)(C)c1ccc(C#CCCCO)cc1
InChIInChI=1S/C15H20O/c1-15(2,3)14-10-8-13(9-11-14)7-5-4-6-12-16/h8-11,16H,4,6,12H2,1-3H3
InChIKeyMEZODOGJGJCHQB-UHFFFAOYSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

tert-butyl 4-(6-hydroxyhex-1-ynyl)benzoate
CID 134414296
4-(4-tert-butylphenyl)but-3-ynenitrile
CID 170475038
[4-(5-hydroxypent-1-ynyl)phenyl]carbamic acid
CID 22678091
1-hex-1-ynyl-4-(trifluoromethyl)benzene
CID 11736275
3-(4-tert-butylphenyl)-N,N-diethylprop-2-yn-1-amine
CID 146002814
1-pent-1-ynyl-4-(trifluoromethyl)benzene
CID 68880068
1-tert-butyl-4-[10-(3-propan-2-yloxypropylsulfanyl)dec-1-ynyl]benzene
CID 170689118
4-(6-hydroxyhex-1-ynyl)benzoic acid;4-iodobenzoic acid
CID 155254954
(4-hex-1-ynylphenyl)methanol
CID 101212882
6-(4-nitrophenyl)hex-5-yn-1-ol
CID 11218263
4-(4-tert-butylphenyl)-2-methylbut-3-yn-2-ol
CID 112554226
5-(3-methoxyphenyl)pent-4-yn-1-ol
CID 112554273

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)pent-4-yn-1-ol?
The IUPAC name of 5-(4-tert-butylphenyl)pent-4-yn-1-ol (CID 22320751) is 5-(4-tert-butylphenyl)pent-4-yn-1-ol.
What is the SMILES notation for 5-(4-tert-butylphenyl)pent-4-yn-1-ol?
The canonical SMILES for 5-(4-tert-butylphenyl)pent-4-yn-1-ol is CC(C)(C)c1ccc(C#CCCCO)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)pent-4-yn-1-ol?
The InChIKey is MEZODOGJGJCHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-15(2,3)14-10-8-13(9-11-14)7-5-4-6-12-16/h8-11,16H,4,6,12H2,1-3H3.
What are the key properties of 5-(4-tert-butylphenyl)pent-4-yn-1-ol?
5-(4-tert-butylphenyl)pent-4-yn-1-ol has a molecular weight of 216.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)pent-4-yn-1-ol is sourced from PubChem (CID 22320751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).