3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol

C19H22O2 — CID 61029540

IUPAC3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol
SMILESCCCCCCOc1ccc2ccccc2c1C#CCO
InChIInChI=1S/C19H22O2/c1-2-3-4-7-15-21-19-13-12-16-9-5-6-10-17(16)18(19)11-8-14-20/h5-6,9-10,12-13,20H,2-4,7,14-15H2,1H3
InChIKeyBUWSWZZOMNDBNV-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.14
Rot. Bonds6

About 3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol

3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol (PubChem CID 61029540) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol
PubChem CID61029540
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol
SMILESCCCCCCOc1ccc2ccccc2c1C#CCO
InChIInChI=1S/C19H22O2/c1-2-3-4-7-15-21-19-13-12-16-9-5-6-10-17(16)18(19)11-8-14-20/h5-6,9-10,12-13,20H,2-4,7,14-15H2,1H3
InChIKeyBUWSWZZOMNDBNV-UHFFFAOYSA-N
XLogP4.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-fluoropropoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 81114610
2-hexoxynaphthalene-1-carbonitrile
CID 22685453
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
3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 61028637
1,4-didodecoxynaphthalene
CID 21304164
1-bromo-2-nonoxynaphthalene
CID 63529773
1-(bromomethyl)-2-hexoxynaphthalene
CID 43505804
1-(chloromethyl)-2-heptoxynaphthalene
CID 43505662
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
methyl 2-decoxynaphthalene-1-carboxylate
CID 118870325
3-(3-methyl-4-nonoxyphenyl)prop-2-yn-1-ol
CID 63418820

Frequently Asked Questions

What is the IUPAC name of 3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol (CID 61029540) is 3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol is CCCCCCOc1ccc2ccccc2c1C#CCO.
What is the InChIKey of 3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol?
The InChIKey is BUWSWZZOMNDBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-2-3-4-7-15-21-19-13-12-16-9-5-6-10-17(16)18(19)11-8-14-20/h5-6,9-10,12-13,20H,2-4,7,14-15H2,1H3.
What are the key properties of 3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol?
3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol has a molecular weight of 282.38 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol is sourced from PubChem (CID 61029540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).