4-ethynyl-1-(4-ethynyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol

C24H14O2 — CID 139963291

IUPAC4-ethynyl-1-(4-ethynyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESC#Cc1cc(O)c(-c2c(O)cc(C#C)c3ccccc23)c2ccccc12
InChIInChI=1S/C24H14O2/c1-3-15-13-21(25)23(19-11-7-5-9-17(15)19)24-20-12-8-6-10-18(20)16(4-2)14-22(24)26/h1-2,5-14,25-26H
InChIKeyAJTOEQCQUOKNPT-UHFFFAOYSA-N
MW334.37 g/mol
LogP5.03
Rot. Bonds1

About 4-ethynyl-1-(4-ethynyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol

4-ethynyl-1-(4-ethynyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 139963291) has the molecular formula C24H14O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 4-ethynyl-1-(4-ethynyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name4-ethynyl-1-(4-ethynyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
PubChem CID139963291
Molecular FormulaC24H14O2
Molecular Weight334.37 g/mol
Exact Mass334.10
IUPAC Name4-ethynyl-1-(4-ethynyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESC#Cc1cc(O)c(-c2c(O)cc(C#C)c3ccccc23)c2ccccc12
InChIInChI=1S/C24H14O2/c1-3-15-13-21(25)23(19-11-7-5-9-17(15)19)24-20-12-8-6-10-18(20)16(4-2)14-22(24)26/h1-2,5-14,25-26H
InChIKeyAJTOEQCQUOKNPT-UHFFFAOYSA-N
XLogP5.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.37
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[2.2.0]hexa-1,3,5-triene;2-ethynylphenol
CID 22327927
1,3-diethynylnaphthalene
CID 139963204
1,3,5-triethynylnaphthalene
CID 139963259
6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 10018263
5-(5,7-diethynylnaphthalen-1-yl)-1,3-diethynylnaphthalene
CID 139963218
2-hydroxynaphthalene-1,4-dicarbonitrile
CID 70018518
12-ethynylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 102419347
S-(4-ethynylnaphthalen-2-yl)thiohydroxylamine
CID 175457415
1,2,3-triethynylnaphthalene
CID 139963288
1-ethynyl-5-phenylnaphthalene
CID 162499401
2,5,8,11,20-pentaethynylhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene
CID 25192309
5-ethynyl-1-(5-ethynyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
CID 139963293

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-(4-ethynyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 4-ethynyl-1-(4-ethynyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol (CID 139963291) is 4-ethynyl-1-(4-ethynyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 4-ethynyl-1-(4-ethynyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 4-ethynyl-1-(4-ethynyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol is C#Cc1cc(O)c(-c2c(O)cc(C#C)c3ccccc23)c2ccccc12.
What is the InChIKey of 4-ethynyl-1-(4-ethynyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is AJTOEQCQUOKNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14O2/c1-3-15-13-21(25)23(19-11-7-5-9-17(15)19)24-20-12-8-6-10-18(20)16(4-2)14-22(24)26/h1-2,5-14,25-26H.
What are the key properties of 4-ethynyl-1-(4-ethynyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
4-ethynyl-1-(4-ethynyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 334.37 g/mol, XLogP of 5.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-(4-ethynyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 139963291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).