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

C32H28O4 — CID 121370037

IUPAC[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(CCc2ccc3cc(CCc4ccc(OC(=O)C=C)cc4)ccc3c2)cc1
InChIInChI=1S/C32H28O4/c1-3-31(33)35-29-17-11-23(12-18-29)5-7-25-9-15-28-22-26(10-16-27(28)21-25)8-6-24-13-19-30(20-14-24)36-32(34)4-2/h3-4,9-22H,1-2,5-8H2
InChIKeyCRAYWKALPLJZLW-UHFFFAOYSA-N
MW476.57 g/mol
LogP6.59
Rot. Bonds10

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

[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate (PubChem CID 121370037) has the molecular formula C32H28O4 and a molecular weight of 476.57 g/mol. Its IUPAC name is [4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate
PubChem CID121370037
Molecular FormulaC32H28O4
Molecular Weight476.57 g/mol
Exact Mass476.20
IUPAC Name[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(CCc2ccc3cc(CCc4ccc(OC(=O)C=C)cc4)ccc3c2)cc1
InChIInChI=1S/C32H28O4/c1-3-31(33)35-29-17-11-23(12-18-29)5-7-25-9-15-28-22-26(10-16-27(28)21-25)8-6-24-13-19-30(20-14-24)36-32(34)4-2/h3-4,9-22H,1-2,5-8H2
InChIKeyCRAYWKALPLJZLW-UHFFFAOYSA-N
XLogP6.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.57
LogP ≤ 56.59
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'}

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Related Compounds

[4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate
CID 126633239
[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate
CID 89309007
[4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate
CID 70189649
[4-[2-[3-methyl-4-[2-(4-prop-2-enoyloxyphenyl)ethyl]phenyl]ethyl]phenyl] prop-2-enoate
CID 121370026
[4-[2-(4-prop-2-enoyloxyphenyl)ethyl]phenyl] but-2-enoate
CID 174951659
(4-butylphenyl) prop-2-enoate
CID 23635599
[4-(2-oxoethyl)phenyl] prop-2-enoate
CID 141400952
[4-[4-[2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219900
[4-[2-[2-methyl-4-[2-(4-prop-2-enoyloxyphenyl)ethyl]phenyl]ethyl]phenyl] 2-methylprop-2-enoate
CID 89309005
[4-(4-octylphenyl)phenyl] prop-2-enoate
CID 20751952
tert-butyl 3-(4-prop-2-enoyloxyphenyl)propanoate
CID 68930141
[4-[4-(2-oxobut-3-enyl)phenyl]phenyl] prop-2-enoate
CID 134168478

Frequently Asked Questions

What is the IUPAC name of [4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate?
The IUPAC name of [4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate (CID 121370037) is [4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(CCc2ccc3cc(CCc4ccc(OC(=O)C=C)cc4)ccc3c2)cc1.
What is the InChIKey of [4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate?
The InChIKey is CRAYWKALPLJZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28O4/c1-3-31(33)35-29-17-11-23(12-18-29)5-7-25-9-15-28-22-26(10-16-27(28)21-25)8-6-24-13-19-30(20-14-24)36-32(34)4-2/h3-4,9-22H,1-2,5-8H2.
What are the key properties of [4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate?
[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate has a molecular weight of 476.57 g/mol, XLogP of 6.59, 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] prop-2-enoate is sourced from PubChem (CID 121370037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).