[4-[4-(ethenoxymethoxy)phenyl]phenyl] cyclopropa-1,2-diene-1-carboxylate

C19H14O4 — CID 58021160

IUPAC[4-[4-(ethenoxymethoxy)phenyl]phenyl] cyclopropa-1,2-diene-1-carboxylate
SMILESC=COCOc1ccc(-c2ccc(OC(=O)C3=C=C3)cc2)cc1
InChIInChI=1S/C19H14O4/c1-2-21-13-22-17-9-5-14(6-10-17)15-7-11-18(12-8-15)23-19(20)16-3-4-16/h2-3,5-12H,1,13H2
InChIKeyAFSCALWWKGHXOX-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.85
Rot. Bonds7

About [4-[4-(ethenoxymethoxy)phenyl]phenyl] cyclopropa-1,2-diene-1-carboxylate

[4-[4-(ethenoxymethoxy)phenyl]phenyl] cyclopropa-1,2-diene-1-carboxylate (PubChem CID 58021160) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is [4-[4-(ethenoxymethoxy)phenyl]phenyl] cyclopropa-1,2-diene-1-carboxylate.

Molecular Properties

Compound Name[4-[4-(ethenoxymethoxy)phenyl]phenyl] cyclopropa-1,2-diene-1-carboxylate
PubChem CID58021160
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name[4-[4-(ethenoxymethoxy)phenyl]phenyl] cyclopropa-1,2-diene-1-carboxylate
SMILESC=COCOc1ccc(-c2ccc(OC(=O)C3=C=C3)cc2)cc1
InChIInChI=1S/C19H14O4/c1-2-21-13-22-17-9-5-14(6-10-17)15-7-11-18(12-8-15)23-19(20)16-3-4-16/h2-3,5-12H,1,13H2
InChIKeyAFSCALWWKGHXOX-UHFFFAOYSA-N
XLogP3.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoyl]oxyphenyl] 4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoate
CID 90051323
[4-[[4-[3-(ethenoxymethoxy)propoxy]phenoxy]methoxy]phenyl] 4-prop-2-enoyloxybenzoate
CID 91213752
(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate
CID 70257888
[4-[[4-(ethenoxymethoxy)phenoxy]methoxy]-3-(trifluoromethyl)phenyl] 4-(ethenoxymethoxy)benzoate
CID 21036115
[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate
CID 19853406
[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]phenyl] 4-(2-oxobut-3-enoxy)benzoate
CID 58309233
[4-[N-(4-ethenoxyphenyl)-4-[4-[[4-[4-(4-ethenoxy-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenoxy]methoxy]phenyl]anilino]phenyl] prop-2-enoate
CID 22089897
[4-[4-(methoxymethoxy)phenyl]phenoxy]methyl prop-2-enoate
CID 59281810
[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-prop-2-enoxybenzoate
CID 129081661
[4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate
CID 144902457
[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenyl] 4-(2-fluoroprop-2-enoyloxy)benzoate
CID 139409066
[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 118547337

Frequently Asked Questions

What is the IUPAC name of [4-[4-(ethenoxymethoxy)phenyl]phenyl] cyclopropa-1,2-diene-1-carboxylate?
The IUPAC name of [4-[4-(ethenoxymethoxy)phenyl]phenyl] cyclopropa-1,2-diene-1-carboxylate (CID 58021160) is [4-[4-(ethenoxymethoxy)phenyl]phenyl] cyclopropa-1,2-diene-1-carboxylate.
What is the SMILES notation for [4-[4-(ethenoxymethoxy)phenyl]phenyl] cyclopropa-1,2-diene-1-carboxylate?
The canonical SMILES for [4-[4-(ethenoxymethoxy)phenyl]phenyl] cyclopropa-1,2-diene-1-carboxylate is C=COCOc1ccc(-c2ccc(OC(=O)C3=C=C3)cc2)cc1.
What is the InChIKey of [4-[4-(ethenoxymethoxy)phenyl]phenyl] cyclopropa-1,2-diene-1-carboxylate?
The InChIKey is AFSCALWWKGHXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c1-2-21-13-22-17-9-5-14(6-10-17)15-7-11-18(12-8-15)23-19(20)16-3-4-16/h2-3,5-12H,1,13H2.
What are the key properties of [4-[4-(ethenoxymethoxy)phenyl]phenyl] cyclopropa-1,2-diene-1-carboxylate?
[4-[4-(ethenoxymethoxy)phenyl]phenyl] cyclopropa-1,2-diene-1-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(ethenoxymethoxy)phenyl]phenyl] cyclopropa-1,2-diene-1-carboxylate is sourced from PubChem (CID 58021160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).