[4-[3-[3,5-bis(2-prop-2-enoyloxyethoxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate

C32H30O8 — CID 118907751

IUPAC[4-[3-[3,5-bis(2-prop-2-enoyloxyethoxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
SMILESC=CC(=O)OCCOc1cc(OCCOC(=O)C=C)cc(-c2cccc(-c3ccc(OC(=O)C(=C)C)cc3)c2)c1
InChIInChI=1S/C32H30O8/c1-5-30(33)38-16-14-36-28-19-26(20-29(21-28)37-15-17-39-31(34)6-2)25-9-7-8-24(18-25)23-10-12-27(13-11-23)40-32(35)22(3)4/h5-13,18-21H,1-3,14-17H2,4H3
InChIKeyCYCPVBKNKFSFCF-UHFFFAOYSA-N
MW542.58 g/mol
LogP5.72
Rot. Bonds14

About [4-[3-[3,5-bis(2-prop-2-enoyloxyethoxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate

[4-[3-[3,5-bis(2-prop-2-enoyloxyethoxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate (PubChem CID 118907751) has the molecular formula C32H30O8 and a molecular weight of 542.58 g/mol. Its IUPAC name is [4-[3-[3,5-bis(2-prop-2-enoyloxyethoxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[3-[3,5-bis(2-prop-2-enoyloxyethoxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
PubChem CID118907751
Molecular FormulaC32H30O8
Molecular Weight542.58 g/mol
Exact Mass542.19
IUPAC Name[4-[3-[3,5-bis(2-prop-2-enoyloxyethoxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
SMILESC=CC(=O)OCCOc1cc(OCCOC(=O)C=C)cc(-c2cccc(-c3ccc(OC(=O)C(=C)C)cc3)c2)c1
InChIInChI=1S/C32H30O8/c1-5-30(33)38-16-14-36-28-19-26(20-29(21-28)37-15-17-39-31(34)6-2)25-9-7-8-24(18-25)23-10-12-27(13-11-23)40-32(35)22(3)4/h5-13,18-21H,1-3,14-17H2,4H3
InChIKeyCYCPVBKNKFSFCF-UHFFFAOYSA-N
XLogP5.72
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.58
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]-5-[3-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 155446398
[4-[4-[[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 155628430
[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
[4-[4-[2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219900
[4-[3-[4-[2-(2-oxopropanoyloxy)acetyl]oxyphenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 169033995
[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 154601614
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
[4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate
CID 144902457
2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate
CID 70425725
2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate
CID 139533290
6-prop-2-enoyloxyhex-3-enyl 4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]benzoate
CID 123161825

Frequently Asked Questions

What is the IUPAC name of [4-[3-[3,5-bis(2-prop-2-enoyloxyethoxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[3-[3,5-bis(2-prop-2-enoyloxyethoxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate (CID 118907751) is [4-[3-[3,5-bis(2-prop-2-enoyloxyethoxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[3-[3,5-bis(2-prop-2-enoyloxyethoxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[3-[3,5-bis(2-prop-2-enoyloxyethoxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate is C=CC(=O)OCCOc1cc(OCCOC(=O)C=C)cc(-c2cccc(-c3ccc(OC(=O)C(=C)C)cc3)c2)c1.
What is the InChIKey of [4-[3-[3,5-bis(2-prop-2-enoyloxyethoxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is CYCPVBKNKFSFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30O8/c1-5-30(33)38-16-14-36-28-19-26(20-29(21-28)37-15-17-39-31(34)6-2)25-9-7-8-24(18-25)23-10-12-27(13-11-23)40-32(35)22(3)4/h5-13,18-21H,1-3,14-17H2,4H3.
What are the key properties of [4-[3-[3,5-bis(2-prop-2-enoyloxyethoxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate?
[4-[3-[3,5-bis(2-prop-2-enoyloxyethoxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 542.58 g/mol, XLogP of 5.72, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[3,5-bis(2-prop-2-enoyloxyethoxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 118907751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).