2-[2-(2-hydroxyethoxy)-5-naphthalen-2-ylphenyl]ethyl 2-methylprop-2-enoate

C24H24O4 — CID 134201092

IUPAC2-[2-(2-hydroxyethoxy)-5-naphthalen-2-ylphenyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1cc(-c2ccc3ccccc3c2)ccc1OCCO
InChIInChI=1S/C24H24O4/c1-17(2)24(26)28-13-11-22-16-21(9-10-23(22)27-14-12-25)20-8-7-18-5-3-4-6-19(18)15-20/h3-10,15-16,25H,1,11-14H2,2H3
InChIKeyJKFSFMOMNLRYCZ-UHFFFAOYSA-N
MW376.45 g/mol
LogP4.54
Rot. Bonds8

About 2-[2-(2-hydroxyethoxy)-5-naphthalen-2-ylphenyl]ethyl 2-methylprop-2-enoate

2-[2-(2-hydroxyethoxy)-5-naphthalen-2-ylphenyl]ethyl 2-methylprop-2-enoate (PubChem CID 134201092) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)-5-naphthalen-2-ylphenyl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)-5-naphthalen-2-ylphenyl]ethyl 2-methylprop-2-enoate
PubChem CID134201092
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name2-[2-(2-hydroxyethoxy)-5-naphthalen-2-ylphenyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1cc(-c2ccc3ccccc3c2)ccc1OCCO
InChIInChI=1S/C24H24O4/c1-17(2)24(26)28-13-11-22-16-21(9-10-23(22)27-14-12-25)20-8-7-18-5-3-4-6-19(18)15-20/h3-10,15-16,25H,1,11-14H2,2H3
InChIKeyJKFSFMOMNLRYCZ-UHFFFAOYSA-N
XLogP4.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)-5-naphthalen-2-ylphenyl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)-5-naphthalen-2-ylphenyl]ethyl 2-methylprop-2-enoate (CID 134201092) is 2-[2-(2-hydroxyethoxy)-5-naphthalen-2-ylphenyl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)-5-naphthalen-2-ylphenyl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)-5-naphthalen-2-ylphenyl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCc1cc(-c2ccc3ccccc3c2)ccc1OCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)-5-naphthalen-2-ylphenyl]ethyl 2-methylprop-2-enoate?
The InChIKey is JKFSFMOMNLRYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-17(2)24(26)28-13-11-22-16-21(9-10-23(22)27-14-12-25)20-8-7-18-5-3-4-6-19(18)15-20/h3-10,15-16,25H,1,11-14H2,2H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)-5-naphthalen-2-ylphenyl]ethyl 2-methylprop-2-enoate?
2-[2-(2-hydroxyethoxy)-5-naphthalen-2-ylphenyl]ethyl 2-methylprop-2-enoate has a molecular weight of 376.45 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)-5-naphthalen-2-ylphenyl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 134201092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).