[(6R)-6-hydroxy-6-naphthalen-2-ylhexa-2,4-diynyl] acetate

C18H14O3 — CID 102291904

IUPAC[(6R)-6-hydroxy-6-naphthalen-2-ylhexa-2,4-diynyl] acetate
SMILESCC(=O)OCC#CC#C[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C18H14O3/c1-14(19)21-12-6-2-3-9-18(20)17-11-10-15-7-4-5-8-16(15)13-17/h4-5,7-8,10-11,13,18,20H,12H2,1H3/t18-/m0/s1
InChIKeyHNQDUYAZIMLLAI-SFHVURJKSA-N
MW278.31 g/mol
LogP2.44
Rot. Bonds2

About [(6R)-6-hydroxy-6-naphthalen-2-ylhexa-2,4-diynyl] acetate

[(6R)-6-hydroxy-6-naphthalen-2-ylhexa-2,4-diynyl] acetate (PubChem CID 102291904) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is [(6R)-6-hydroxy-6-naphthalen-2-ylhexa-2,4-diynyl] acetate.

Molecular Properties

Compound Name[(6R)-6-hydroxy-6-naphthalen-2-ylhexa-2,4-diynyl] acetate
PubChem CID102291904
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name[(6R)-6-hydroxy-6-naphthalen-2-ylhexa-2,4-diynyl] acetate
SMILESCC(=O)OCC#CC#C[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C18H14O3/c1-14(19)21-12-6-2-3-9-18(20)17-11-10-15-7-4-5-8-16(15)13-17/h4-5,7-8,10-11,13,18,20H,12H2,1H3/t18-/m0/s1
InChIKeyHNQDUYAZIMLLAI-SFHVURJKSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(4S)-4-hydroxy-4-(3-methoxyphenyl)but-2-ynyl] acetate
CID 154708366
1-naphthalen-2-ylbut-2-yne-1,4-diol
CID 46914649
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
(1S)-1-naphthalen-2-yl-3-trimethylsilylprop-2-yn-1-ol
CID 24851555
[(1R)-1-naphthalen-2-ylpropyl] acetate
CID 58079221
4-(4-methylphenyl)sulfonyl-1-naphthalen-2-ylbut-2-yn-1-ol
CID 101160197
amino(naphthalen-2-yl)methanol
CID 57110079
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961
(3-naphthalen-1-yl-2-naphthalen-2-yl-3-oxopropyl) acetate
CID 175246613
[bis(acetyloxymethoxy)phosphoryl-naphthalen-2-ylmethoxy]methyl acetate
CID 3619
dimethyl 2-[(1R)-1-naphthalen-2-ylethyl]propanedioate
CID 101238561
(2R)-2-hydroxy-2-naphthalen-2-ylacetamide
CID 11356121

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-hydroxy-6-naphthalen-2-ylhexa-2,4-diynyl] acetate?
The IUPAC name of [(6R)-6-hydroxy-6-naphthalen-2-ylhexa-2,4-diynyl] acetate (CID 102291904) is [(6R)-6-hydroxy-6-naphthalen-2-ylhexa-2,4-diynyl] acetate.
What is the SMILES notation for [(6R)-6-hydroxy-6-naphthalen-2-ylhexa-2,4-diynyl] acetate?
The canonical SMILES for [(6R)-6-hydroxy-6-naphthalen-2-ylhexa-2,4-diynyl] acetate is CC(=O)OCC#CC#C[C@H](O)c1ccc2ccccc2c1.
What is the InChIKey of [(6R)-6-hydroxy-6-naphthalen-2-ylhexa-2,4-diynyl] acetate?
The InChIKey is HNQDUYAZIMLLAI-SFHVURJKSA-N. The full InChI is InChI=1S/C18H14O3/c1-14(19)21-12-6-2-3-9-18(20)17-11-10-15-7-4-5-8-16(15)13-17/h4-5,7-8,10-11,13,18,20H,12H2,1H3/t18-/m0/s1.
What are the key properties of [(6R)-6-hydroxy-6-naphthalen-2-ylhexa-2,4-diynyl] acetate?
[(6R)-6-hydroxy-6-naphthalen-2-ylhexa-2,4-diynyl] acetate has a molecular weight of 278.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-hydroxy-6-naphthalen-2-ylhexa-2,4-diynyl] acetate is sourced from PubChem (CID 102291904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).