bis(2-prop-2-enylphenyl) 4-prop-2-enylnaphthalene-2,6-dicarboxylate

C33H28O4 — CID 147077770

IUPACbis(2-prop-2-enylphenyl) 4-prop-2-enylnaphthalene-2,6-dicarboxylate
SMILESC=CCc1ccccc1OC(=O)c1cc(CC=C)c2cc(C(=O)Oc3ccccc3CC=C)ccc2c1
InChIInChI=1S/C33H28O4/c1-4-11-23-14-7-9-16-30(23)36-32(34)27-19-18-26-21-28(20-25(13-6-3)29(26)22-27)33(35)37-31-17-10-8-15-24(31)12-5-2/h4-10,14-22H,1-3,11-13H2
InChIKeyBGHWPZFTWZNATO-UHFFFAOYSA-N
MW488.58 g/mol
LogP7.46
Rot. Bonds10

About bis(2-prop-2-enylphenyl) 4-prop-2-enylnaphthalene-2,6-dicarboxylate

bis(2-prop-2-enylphenyl) 4-prop-2-enylnaphthalene-2,6-dicarboxylate (PubChem CID 147077770) has the molecular formula C33H28O4 and a molecular weight of 488.58 g/mol. Its IUPAC name is bis(2-prop-2-enylphenyl) 4-prop-2-enylnaphthalene-2,6-dicarboxylate.

Molecular Properties

Compound Namebis(2-prop-2-enylphenyl) 4-prop-2-enylnaphthalene-2,6-dicarboxylate
PubChem CID147077770
Molecular FormulaC33H28O4
Molecular Weight488.58 g/mol
Exact Mass488.20
IUPAC Namebis(2-prop-2-enylphenyl) 4-prop-2-enylnaphthalene-2,6-dicarboxylate
SMILESC=CCc1ccccc1OC(=O)c1cc(CC=C)c2cc(C(=O)Oc3ccccc3CC=C)ccc2c1
InChIInChI=1S/C33H28O4/c1-4-11-23-14-7-9-16-30(23)36-32(34)27-19-18-26-21-28(20-25(13-6-3)29(26)22-27)33(35)37-31-17-10-8-15-24(31)12-5-2/h4-10,14-22H,1-3,11-13H2
InChIKeyBGHWPZFTWZNATO-UHFFFAOYSA-N
XLogP7.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-prop-2-enylphenyl) acetate;dihydrobromide
CID 70043796
(2-prop-2-enylphenyl) 2-oxoacetate
CID 87234163
anthracen-1-yl naphthalene-2-carboxylate
CID 151830595
(2-hydroxyphenyl) 4-prop-2-enylbenzoate
CID 67917162
methyl 6-prop-2-enylnaphthalene-2-carboxylate
CID 163936800
[3,6,7,10,11-pentakis[(6-prop-2-enoxynaphthalene-2-carbonyl)oxy]triphenylen-2-yl] 6-prop-2-enoxynaphthalene-2-carboxylate
CID 101087654
4-[(2-prop-2-enylphenoxy)methyl]benzoic acid
CID 2252771
N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide
CID 90576897
phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone
CID 68914261
[3,6,7,10,11-pentakis[(6-but-3-enoxynaphthalene-2-carbonyl)oxy]triphenylen-2-yl] 6-but-3-enoxynaphthalene-2-carboxylate
CID 101087651
prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate
CID 90322329
methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate
CID 11241748

Frequently Asked Questions

What is the IUPAC name of bis(2-prop-2-enylphenyl) 4-prop-2-enylnaphthalene-2,6-dicarboxylate?
The IUPAC name of bis(2-prop-2-enylphenyl) 4-prop-2-enylnaphthalene-2,6-dicarboxylate (CID 147077770) is bis(2-prop-2-enylphenyl) 4-prop-2-enylnaphthalene-2,6-dicarboxylate.
What is the SMILES notation for bis(2-prop-2-enylphenyl) 4-prop-2-enylnaphthalene-2,6-dicarboxylate?
The canonical SMILES for bis(2-prop-2-enylphenyl) 4-prop-2-enylnaphthalene-2,6-dicarboxylate is C=CCc1ccccc1OC(=O)c1cc(CC=C)c2cc(C(=O)Oc3ccccc3CC=C)ccc2c1.
What is the InChIKey of bis(2-prop-2-enylphenyl) 4-prop-2-enylnaphthalene-2,6-dicarboxylate?
The InChIKey is BGHWPZFTWZNATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28O4/c1-4-11-23-14-7-9-16-30(23)36-32(34)27-19-18-26-21-28(20-25(13-6-3)29(26)22-27)33(35)37-31-17-10-8-15-24(31)12-5-2/h4-10,14-22H,1-3,11-13H2.
What are the key properties of bis(2-prop-2-enylphenyl) 4-prop-2-enylnaphthalene-2,6-dicarboxylate?
bis(2-prop-2-enylphenyl) 4-prop-2-enylnaphthalene-2,6-dicarboxylate has a molecular weight of 488.58 g/mol, XLogP of 7.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-prop-2-enylphenyl) 4-prop-2-enylnaphthalene-2,6-dicarboxylate is sourced from PubChem (CID 147077770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).