phenyl 3-(3-oxo-3-phenoxyprop-1-enoxy)prop-2-enoate

C18H14O5 — CID 70225991

IUPACphenyl 3-(3-oxo-3-phenoxyprop-1-enoxy)prop-2-enoate
SMILESO=C(C=COC=CC(=O)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H14O5/c19-17(22-15-7-3-1-4-8-15)11-13-21-14-12-18(20)23-16-9-5-2-6-10-16/h1-14H
InChIKeyBVJKABCUJXDUDZ-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.24
Rot. Bonds6

About phenyl 3-(3-oxo-3-phenoxyprop-1-enoxy)prop-2-enoate

phenyl 3-(3-oxo-3-phenoxyprop-1-enoxy)prop-2-enoate (PubChem CID 70225991) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is phenyl 3-(3-oxo-3-phenoxyprop-1-enoxy)prop-2-enoate.

Molecular Properties

Compound Namephenyl 3-(3-oxo-3-phenoxyprop-1-enoxy)prop-2-enoate
PubChem CID70225991
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Namephenyl 3-(3-oxo-3-phenoxyprop-1-enoxy)prop-2-enoate
SMILESO=C(C=COC=CC(=O)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H14O5/c19-17(22-15-7-3-1-4-8-15)11-13-21-14-12-18(20)23-16-9-5-2-6-10-16/h1-14H
InChIKeyBVJKABCUJXDUDZ-UHFFFAOYSA-N
XLogP3.24
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

mercury;(Z)-4-oxo-4-phenoxybut-2-enoic acid
CID 67065285
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
phenyl 3-butoxyprop-2-enoate
CID 67200074
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
phenyl 4,4-dichlorobut-2-enoate
CID 70163713
(E,2Z)-2-ethylidene-5-oxo-5-phenoxypent-3-enoic acid
CID 174429213
buta-1,3-diene;diphenyl carbonate
CID 87173366
dibenzyl (Z)-but-2-enedioate;diphenyl (Z)-but-2-enedioate
CID 160774605
phenyl (E)-4-methoxybut-2-enoate
CID 174589073
phenyl 3-(azocan-1-yl)prop-2-enoate
CID 2751342
phenyl (E)-3-thiocyanatoprop-2-enoate
CID 19374705
4-O-(1,3-dihydroxypropan-2-yl) 1-O-phenyl (E)-but-2-enedioate
CID 130411711

Frequently Asked Questions

What is the IUPAC name of phenyl 3-(3-oxo-3-phenoxyprop-1-enoxy)prop-2-enoate?
The IUPAC name of phenyl 3-(3-oxo-3-phenoxyprop-1-enoxy)prop-2-enoate (CID 70225991) is phenyl 3-(3-oxo-3-phenoxyprop-1-enoxy)prop-2-enoate.
What is the SMILES notation for phenyl 3-(3-oxo-3-phenoxyprop-1-enoxy)prop-2-enoate?
The canonical SMILES for phenyl 3-(3-oxo-3-phenoxyprop-1-enoxy)prop-2-enoate is O=C(C=COC=CC(=O)Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl 3-(3-oxo-3-phenoxyprop-1-enoxy)prop-2-enoate?
The InChIKey is BVJKABCUJXDUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c19-17(22-15-7-3-1-4-8-15)11-13-21-14-12-18(20)23-16-9-5-2-6-10-16/h1-14H.
What are the key properties of phenyl 3-(3-oxo-3-phenoxyprop-1-enoxy)prop-2-enoate?
phenyl 3-(3-oxo-3-phenoxyprop-1-enoxy)prop-2-enoate has a molecular weight of 310.31 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-(3-oxo-3-phenoxyprop-1-enoxy)prop-2-enoate is sourced from PubChem (CID 70225991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).