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

C22H14O2 — CID 10018263

IUPAC6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESC#Cc1ccc2c(-c3c(O)ccc4ccccc34)c(O)ccc2c1
InChIInChI=1S/C22H14O2/c1-2-14-7-10-18-16(13-14)9-12-20(24)22(18)21-17-6-4-3-5-15(17)8-11-19(21)23/h1,3-13,23-24H
InChIKeyWWDJBKYDBWXBLO-UHFFFAOYSA-N
MW310.35 g/mol
LogP5.05
Rot. Bonds1

About 6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 10018263) has the molecular formula C22H14O2 and a molecular weight of 310.35 g/mol. Its IUPAC name is 6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
PubChem CID10018263
Molecular FormulaC22H14O2
Molecular Weight310.35 g/mol
Exact Mass310.10
IUPAC Name6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESC#Cc1ccc2c(-c3c(O)ccc4ccccc34)c(O)ccc2c1
InChIInChI=1S/C22H14O2/c1-2-14-7-10-18-16(13-14)9-12-20(24)22(18)21-17-6-4-3-5-15(17)8-11-19(21)23/h1,3-13,23-24H
InChIKeyWWDJBKYDBWXBLO-UHFFFAOYSA-N
XLogP5.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.35
LogP ≤ 55.05
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

2-amino-4-[1-[2-(3-amino-4-hydroxyphenoxy)-6-ethynylnaphthalen-1-yl]naphthalen-2-yl]oxyphenol
CID 139999574
6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 102520249
cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 70289333
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde
CID 165164881
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101402327
1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol
CID 67157613
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;N-methyl-N-phosphanylmethanamine
CID 142347259
3-[3-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]propyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101021854

Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (CID 10018263) is 6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is C#Cc1ccc2c(-c3c(O)ccc4ccccc34)c(O)ccc2c1.
What is the InChIKey of 6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is WWDJBKYDBWXBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O2/c1-2-14-7-10-18-16(13-14)9-12-20(24)22(18)21-17-6-4-3-5-15(17)8-11-19(21)23/h1,3-13,23-24H.
What are the key properties of 6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 310.35 g/mol, XLogP of 5.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 10018263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).