(1-naphthalen-2-ylcyclopentyl) 5-ethenyl-2-hydroxybenzoate

C24H22O3 — CID 165100881

IUPAC(1-naphthalen-2-ylcyclopentyl) 5-ethenyl-2-hydroxybenzoate
SMILESC=Cc1ccc(O)c(C(=O)OC2(c3ccc4ccccc4c3)CCCC2)c1
InChIInChI=1S/C24H22O3/c1-2-17-9-12-22(25)21(15-17)23(26)27-24(13-5-6-14-24)20-11-10-18-7-3-4-8-19(18)16-20/h2-4,7-12,15-16,25H,1,5-6,13-14H2
InChIKeyWBGIOGPSXSHWTQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.81
Rot. Bonds4

About (1-naphthalen-2-ylcyclopentyl) 5-ethenyl-2-hydroxybenzoate

(1-naphthalen-2-ylcyclopentyl) 5-ethenyl-2-hydroxybenzoate (PubChem CID 165100881) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (1-naphthalen-2-ylcyclopentyl) 5-ethenyl-2-hydroxybenzoate.

Molecular Properties

Compound Name(1-naphthalen-2-ylcyclopentyl) 5-ethenyl-2-hydroxybenzoate
PubChem CID165100881
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name(1-naphthalen-2-ylcyclopentyl) 5-ethenyl-2-hydroxybenzoate
SMILESC=Cc1ccc(O)c(C(=O)OC2(c3ccc4ccccc4c3)CCCC2)c1
InChIInChI=1S/C24H22O3/c1-2-17-9-12-22(25)21(15-17)23(26)27-24(13-5-6-14-24)20-11-10-18-7-3-4-8-19(18)16-20/h2-4,7-12,15-16,25H,1,5-6,13-14H2
InChIKeyWBGIOGPSXSHWTQ-UHFFFAOYSA-N
XLogP5.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-naphthalen-2-ylcyclopentyl) 5-ethenyl-2-hydroxybenzoate?
The IUPAC name of (1-naphthalen-2-ylcyclopentyl) 5-ethenyl-2-hydroxybenzoate (CID 165100881) is (1-naphthalen-2-ylcyclopentyl) 5-ethenyl-2-hydroxybenzoate.
What is the SMILES notation for (1-naphthalen-2-ylcyclopentyl) 5-ethenyl-2-hydroxybenzoate?
The canonical SMILES for (1-naphthalen-2-ylcyclopentyl) 5-ethenyl-2-hydroxybenzoate is C=Cc1ccc(O)c(C(=O)OC2(c3ccc4ccccc4c3)CCCC2)c1.
What is the InChIKey of (1-naphthalen-2-ylcyclopentyl) 5-ethenyl-2-hydroxybenzoate?
The InChIKey is WBGIOGPSXSHWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O3/c1-2-17-9-12-22(25)21(15-17)23(26)27-24(13-5-6-14-24)20-11-10-18-7-3-4-8-19(18)16-20/h2-4,7-12,15-16,25H,1,5-6,13-14H2.
What are the key properties of (1-naphthalen-2-ylcyclopentyl) 5-ethenyl-2-hydroxybenzoate?
(1-naphthalen-2-ylcyclopentyl) 5-ethenyl-2-hydroxybenzoate has a molecular weight of 358.44 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-naphthalen-2-ylcyclopentyl) 5-ethenyl-2-hydroxybenzoate is sourced from PubChem (CID 165100881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).