1-(1-phenyloct-1-yn-3-yl)naphthalen-2-ol

C24H24O — CID 53243276

IUPAC1-(1-phenyloct-1-yn-3-yl)naphthalen-2-ol
SMILESCCCCCC(C#Cc1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C24H24O/c1-2-3-5-13-21(16-15-19-10-6-4-7-11-19)24-22-14-9-8-12-20(22)17-18-23(24)25/h4,6-12,14,17-18,21,25H,2-3,5,13H2,1H3
InChIKeyOQVNRSOIUADRDQ-UHFFFAOYSA-N
MW328.46 g/mol
LogP6.26
Rot. Bonds5

About 1-(1-phenyloct-1-yn-3-yl)naphthalen-2-ol

1-(1-phenyloct-1-yn-3-yl)naphthalen-2-ol (PubChem CID 53243276) has the molecular formula C24H24O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-(1-phenyloct-1-yn-3-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(1-phenyloct-1-yn-3-yl)naphthalen-2-ol
PubChem CID53243276
Molecular FormulaC24H24O
Molecular Weight328.46 g/mol
Exact Mass328.18
IUPAC Name1-(1-phenyloct-1-yn-3-yl)naphthalen-2-ol
SMILESCCCCCC(C#Cc1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C24H24O/c1-2-3-5-13-21(16-15-19-10-6-4-7-11-19)24-22-14-9-8-12-20(22)17-18-23(24)25/h4,6-12,14,17-18,21,25H,2-3,5,13H2,1H3
InChIKeyOQVNRSOIUADRDQ-UHFFFAOYSA-N
XLogP6.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 56.26
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

1-(1-phenylhex-1-yn-3-yl)naphthalene
CID 135008938
(3S,5R)-1-phenylundec-1-yne-3,5-diol
CID 101380795
1-(4-phenylphenyl)oct-1-yn-3-ol
CID 146002722
1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
CID 95420538
1-phenyldec-1-yn-4-ol
CID 15174596
1-[(1S)-1-aminopropyl]naphthalen-2-ol
CID 93030603
1-[1-(4-methoxyphenyl)oct-2-ynyl]naphthalen-2-ol
CID 101438208
[3-butyl-4,5-dimethylidene-6-(2-phenylethynyl)dec-1-ynyl]benzene
CID 12964189
3-pentylundeca-1,4-diynylbenzene
CID 164898944
3-fluorohex-1-ynylbenzene
CID 135044273
1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol
CID 171309511
heptane;phenanthrene
CID 157482146

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyloct-1-yn-3-yl)naphthalen-2-ol?
The IUPAC name of 1-(1-phenyloct-1-yn-3-yl)naphthalen-2-ol (CID 53243276) is 1-(1-phenyloct-1-yn-3-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(1-phenyloct-1-yn-3-yl)naphthalen-2-ol?
The canonical SMILES for 1-(1-phenyloct-1-yn-3-yl)naphthalen-2-ol is CCCCCC(C#Cc1ccccc1)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-(1-phenyloct-1-yn-3-yl)naphthalen-2-ol?
The InChIKey is OQVNRSOIUADRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O/c1-2-3-5-13-21(16-15-19-10-6-4-7-11-19)24-22-14-9-8-12-20(22)17-18-23(24)25/h4,6-12,14,17-18,21,25H,2-3,5,13H2,1H3.
What are the key properties of 1-(1-phenyloct-1-yn-3-yl)naphthalen-2-ol?
1-(1-phenyloct-1-yn-3-yl)naphthalen-2-ol has a molecular weight of 328.46 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyloct-1-yn-3-yl)naphthalen-2-ol is sourced from PubChem (CID 53243276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).