[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate

C33H30O4 — CID 89309007

IUPAC[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(CCc2ccc3cc(CCc4ccc(OC(=O)C(=C)C)cc4)ccc3c2)cc1
InChIInChI=1S/C33H30O4/c1-4-32(34)36-30-17-11-24(12-18-30)5-7-26-9-15-29-22-27(10-16-28(29)21-26)8-6-25-13-19-31(20-14-25)37-33(35)23(2)3/h4,9-22H,1-2,5-8H2,3H3
InChIKeyJUORUBNCFPNJAR-UHFFFAOYSA-N
MW490.60 g/mol
LogP6.98
Rot. Bonds10

About [4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate

[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate (PubChem CID 89309007) has the molecular formula C33H30O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is [4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate
PubChem CID89309007
Molecular FormulaC33H30O4
Molecular Weight490.60 g/mol
Exact Mass490.21
IUPAC Name[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(CCc2ccc3cc(CCc4ccc(OC(=O)C(=C)C)cc4)ccc3c2)cc1
InChIInChI=1S/C33H30O4/c1-4-32(34)36-30-17-11-24(12-18-30)5-7-26-9-15-29-22-27(10-16-28(29)21-26)8-6-25-13-19-31(20-14-25)37-33(35)23(2)3/h4,9-22H,1-2,5-8H2,3H3
InChIKeyJUORUBNCFPNJAR-UHFFFAOYSA-N
XLogP6.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-[2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219900
[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate
CID 121370037
[4-[2-[2-methyl-4-[2-(4-prop-2-enoyloxyphenyl)ethyl]phenyl]ethyl]phenyl] 2-methylprop-2-enoate
CID 89309005
[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 89212422
[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 118680413
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethyl)phenyl]phenyl]methyl prop-2-enoate
CID 161314193
(6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate
CID 91028345
[4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate
CID 126633239
[4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 155628388
[4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219776
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
[4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate
CID 70189649

Frequently Asked Questions

What is the IUPAC name of [4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate (CID 89309007) is [4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate is C=CC(=O)Oc1ccc(CCc2ccc3cc(CCc4ccc(OC(=O)C(=C)C)cc4)ccc3c2)cc1.
What is the InChIKey of [4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is JUORUBNCFPNJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30O4/c1-4-32(34)36-30-17-11-24(12-18-30)5-7-26-9-15-29-22-27(10-16-28(29)21-26)8-6-25-13-19-31(20-14-25)37-33(35)23(2)3/h4,9-22H,1-2,5-8H2,3H3.
What are the key properties of [4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate?
[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 490.60 g/mol, XLogP of 6.98, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 89309007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).