1-(2-hydroxynaphthalen-1-yl)-6-(5-sulfanylpentyl)naphthalen-2-ol

C25H24O2S — CID 11463398

IUPAC1-(2-hydroxynaphthalen-1-yl)-6-(5-sulfanylpentyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(O)ccc2cc(CCCCCS)ccc12
InChIInChI=1S/C25H24O2S/c26-22-13-10-18-7-3-4-8-20(18)24(22)25-21-12-9-17(6-2-1-5-15-28)16-19(21)11-14-23(25)27/h3-4,7-14,16,26-28H,1-2,5-6,15H2
InChIKeyIILQIMRRTHGTGP-UHFFFAOYSA-N
MW388.53 g/mol
LogP6.71
Rot. Bonds6

About 1-(2-hydroxynaphthalen-1-yl)-6-(5-sulfanylpentyl)naphthalen-2-ol

1-(2-hydroxynaphthalen-1-yl)-6-(5-sulfanylpentyl)naphthalen-2-ol (PubChem CID 11463398) has the molecular formula C25H24O2S and a molecular weight of 388.53 g/mol. Its IUPAC name is 1-(2-hydroxynaphthalen-1-yl)-6-(5-sulfanylpentyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-hydroxynaphthalen-1-yl)-6-(5-sulfanylpentyl)naphthalen-2-ol
PubChem CID11463398
Molecular FormulaC25H24O2S
Molecular Weight388.53 g/mol
Exact Mass388.15
IUPAC Name1-(2-hydroxynaphthalen-1-yl)-6-(5-sulfanylpentyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(O)ccc2cc(CCCCCS)ccc12
InChIInChI=1S/C25H24O2S/c26-22-13-10-18-7-3-4-8-20(18)24(22)25-21-12-9-17(6-2-1-5-15-28)16-19(21)11-14-23(25)27/h3-4,7-14,16,26-28H,1-2,5-6,15H2
InChIKeyIILQIMRRTHGTGP-UHFFFAOYSA-N
XLogP6.71
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.53
LogP ≤ 56.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 102520249
6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol
CID 166440328
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
3-[3-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]propyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101021854
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
6-pentylnaphthalen-1-ol
CID 69480806
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
2-cyanoethyl 3-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]propanoate
CID 101437550
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 10018263
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
2-chrysen-2-ylethanol
CID 87369474

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxynaphthalen-1-yl)-6-(5-sulfanylpentyl)naphthalen-2-ol?
The IUPAC name of 1-(2-hydroxynaphthalen-1-yl)-6-(5-sulfanylpentyl)naphthalen-2-ol (CID 11463398) is 1-(2-hydroxynaphthalen-1-yl)-6-(5-sulfanylpentyl)naphthalen-2-ol.
What is the SMILES notation for 1-(2-hydroxynaphthalen-1-yl)-6-(5-sulfanylpentyl)naphthalen-2-ol?
The canonical SMILES for 1-(2-hydroxynaphthalen-1-yl)-6-(5-sulfanylpentyl)naphthalen-2-ol is Oc1ccc2ccccc2c1-c1c(O)ccc2cc(CCCCCS)ccc12.
What is the InChIKey of 1-(2-hydroxynaphthalen-1-yl)-6-(5-sulfanylpentyl)naphthalen-2-ol?
The InChIKey is IILQIMRRTHGTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O2S/c26-22-13-10-18-7-3-4-8-20(18)24(22)25-21-12-9-17(6-2-1-5-15-28)16-19(21)11-14-23(25)27/h3-4,7-14,16,26-28H,1-2,5-6,15H2.
What are the key properties of 1-(2-hydroxynaphthalen-1-yl)-6-(5-sulfanylpentyl)naphthalen-2-ol?
1-(2-hydroxynaphthalen-1-yl)-6-(5-sulfanylpentyl)naphthalen-2-ol has a molecular weight of 388.53 g/mol, XLogP of 6.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxynaphthalen-1-yl)-6-(5-sulfanylpentyl)naphthalen-2-ol is sourced from PubChem (CID 11463398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).