1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane

C23H20O2S — CID 160621443

IUPAC1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane
SMILESC=CCOc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.S
InChIInChI=1S/C23H18O2.H2S/c1-2-15-25-21-14-12-17-8-4-6-10-19(17)23(21)22-18-9-5-3-7-16(18)11-13-20(22)24;/h2-14,24H,1,15H2;1H2
InChIKeyRGTGDGVCDTUHTP-UHFFFAOYSA-N
MW360.48 g/mol
LogP6.04
Rot. Bonds4

About 1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane

1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane (PubChem CID 160621443) has the molecular formula C23H20O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane.

Molecular Properties

Compound Name1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane
PubChem CID160621443
Molecular FormulaC23H20O2S
Molecular Weight360.48 g/mol
Exact Mass360.12
IUPAC Name1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane
SMILESC=CCOc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.S
InChIInChI=1S/C23H18O2.H2S/c1-2-15-25-21-14-12-17-8-4-6-10-19(17)23(21)22-18-9-5-3-7-16(18)11-13-20(22)24;/h2-14,24H,1,15H2;1H2
InChIKeyRGTGDGVCDTUHTP-UHFFFAOYSA-N
XLogP6.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane?
The IUPAC name of 1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane (CID 160621443) is 1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane.
What is the SMILES notation for 1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane?
The canonical SMILES for 1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane is C=CCOc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.S.
What is the InChIKey of 1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane?
The InChIKey is RGTGDGVCDTUHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O2.H2S/c1-2-15-25-21-14-12-17-8-4-6-10-19(17)23(21)22-18-9-5-3-7-16(18)11-13-20(22)24;/h2-14,24H,1,15H2;1H2.
What are the key properties of 1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane?
1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane has a molecular weight of 360.48 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane is sourced from PubChem (CID 160621443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).