4-(2-pentan-2-yloxynaphthalen-1-yl)but-3-yn-1-ol

C19H22O2 — CID 107885344

IUPAC4-(2-pentan-2-yloxynaphthalen-1-yl)but-3-yn-1-ol
SMILESCCCC(C)Oc1ccc2ccccc2c1C#CCCO
InChIInChI=1S/C19H22O2/c1-3-8-15(2)21-19-13-12-16-9-4-5-10-17(16)18(19)11-6-7-14-20/h4-5,9-10,12-13,15,20H,3,7-8,14H2,1-2H3
InChIKeyDUIVILBEWRPWTF-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.14
Rot. Bonds5

About 4-(2-pentan-2-yloxynaphthalen-1-yl)but-3-yn-1-ol

4-(2-pentan-2-yloxynaphthalen-1-yl)but-3-yn-1-ol (PubChem CID 107885344) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-(2-pentan-2-yloxynaphthalen-1-yl)but-3-yn-1-ol.

Molecular Properties

Compound Name4-(2-pentan-2-yloxynaphthalen-1-yl)but-3-yn-1-ol
PubChem CID107885344
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name4-(2-pentan-2-yloxynaphthalen-1-yl)but-3-yn-1-ol
SMILESCCCC(C)Oc1ccc2ccccc2c1C#CCCO
InChIInChI=1S/C19H22O2/c1-3-8-15(2)21-19-13-12-16-9-4-5-10-17(16)18(19)11-6-7-14-20/h4-5,9-10,12-13,15,20H,3,7-8,14H2,1-2H3
InChIKeyDUIVILBEWRPWTF-UHFFFAOYSA-N
XLogP4.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloroprop-1-ynyl)-2-pentan-2-yloxynaphthalene
CID 107885385
4-(2-phenylmethoxynaphthalen-1-yl)but-3-yn-1-ol
CID 61029666
3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 61029183
3-[2-(2-methylbutoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 62105890
(E)-3-(2-pentan-2-yloxynaphthalen-1-yl)prop-2-enoic acid
CID 107890419
1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol
CID 107892203
3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol
CID 61029540
1-hepta-1,6-diynyl-2-methoxynaphthalene
CID 46845898
4-[2-methoxy-5-(pentan-2-yloxymethyl)phenyl]but-3-yn-1-ol
CID 102983285
2-naphthalen-1-yloxypropan-1-ol
CID 13259427
methyl 2-tridecan-2-yloxynaphthalene-1-carboxylate
CID 118870402
3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 61028637

Frequently Asked Questions

What is the IUPAC name of 4-(2-pentan-2-yloxynaphthalen-1-yl)but-3-yn-1-ol?
The IUPAC name of 4-(2-pentan-2-yloxynaphthalen-1-yl)but-3-yn-1-ol (CID 107885344) is 4-(2-pentan-2-yloxynaphthalen-1-yl)but-3-yn-1-ol.
What is the SMILES notation for 4-(2-pentan-2-yloxynaphthalen-1-yl)but-3-yn-1-ol?
The canonical SMILES for 4-(2-pentan-2-yloxynaphthalen-1-yl)but-3-yn-1-ol is CCCC(C)Oc1ccc2ccccc2c1C#CCCO.
What is the InChIKey of 4-(2-pentan-2-yloxynaphthalen-1-yl)but-3-yn-1-ol?
The InChIKey is DUIVILBEWRPWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-3-8-15(2)21-19-13-12-16-9-4-5-10-17(16)18(19)11-6-7-14-20/h4-5,9-10,12-13,15,20H,3,7-8,14H2,1-2H3.
What are the key properties of 4-(2-pentan-2-yloxynaphthalen-1-yl)but-3-yn-1-ol?
4-(2-pentan-2-yloxynaphthalen-1-yl)but-3-yn-1-ol has a molecular weight of 282.38 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pentan-2-yloxynaphthalen-1-yl)but-3-yn-1-ol is sourced from PubChem (CID 107885344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).