methyl 4-[2-(4-methoxycarbonylphenoxy)prop-2-enoxy]benzoate

C19H18O6 — CID 101211888

IUPACmethyl 4-[2-(4-methoxycarbonylphenoxy)prop-2-enoxy]benzoate
SMILESC=C(COc1ccc(C(=O)OC)cc1)Oc1ccc(C(=O)OC)cc1
InChIInChI=1S/C19H18O6/c1-13(25-17-10-6-15(7-11-17)19(21)23-3)12-24-16-8-4-14(5-9-16)18(20)22-2/h4-11H,1,12H2,2-3H3
InChIKeyMSPFFKYXAXHJTI-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.23
Rot. Bonds7

About methyl 4-[2-(4-methoxycarbonylphenoxy)prop-2-enoxy]benzoate

methyl 4-[2-(4-methoxycarbonylphenoxy)prop-2-enoxy]benzoate (PubChem CID 101211888) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is methyl 4-[2-(4-methoxycarbonylphenoxy)prop-2-enoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(4-methoxycarbonylphenoxy)prop-2-enoxy]benzoate
PubChem CID101211888
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Namemethyl 4-[2-(4-methoxycarbonylphenoxy)prop-2-enoxy]benzoate
SMILESC=C(COc1ccc(C(=O)OC)cc1)Oc1ccc(C(=O)OC)cc1
InChIInChI=1S/C19H18O6/c1-13(25-17-10-6-15(7-11-17)19(21)23-3)12-24-16-8-4-14(5-9-16)18(20)22-2/h4-11H,1,12H2,2-3H3
InChIKeyMSPFFKYXAXHJTI-UHFFFAOYSA-N
XLogP3.23
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(4-methoxycarbonylphenyl) oxalate
CID 70400946
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CID 8001541
(4-methoxycarbonylphenyl) 4-butoxybenzoate
CID 2833476
methyl 4-methoxycarbonyloxybenzoate
CID 584598
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
methyl 4-prop-2-enoyloxybenzoate
CID 18402609
methyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 22625454
methyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate
CID 2677908
methyl 4-(4-methoxycarbonylphenoxy)carbothioyloxybenzoate
CID 14022563
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
methyl 4-but-3-enoyloxybenzoate
CID 139889158
methyl 4-(2-methylbutoxy)benzoate
CID 18342003

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-methoxycarbonylphenoxy)prop-2-enoxy]benzoate?
The IUPAC name of methyl 4-[2-(4-methoxycarbonylphenoxy)prop-2-enoxy]benzoate (CID 101211888) is methyl 4-[2-(4-methoxycarbonylphenoxy)prop-2-enoxy]benzoate.
What is the SMILES notation for methyl 4-[2-(4-methoxycarbonylphenoxy)prop-2-enoxy]benzoate?
The canonical SMILES for methyl 4-[2-(4-methoxycarbonylphenoxy)prop-2-enoxy]benzoate is C=C(COc1ccc(C(=O)OC)cc1)Oc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[2-(4-methoxycarbonylphenoxy)prop-2-enoxy]benzoate?
The InChIKey is MSPFFKYXAXHJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O6/c1-13(25-17-10-6-15(7-11-17)19(21)23-3)12-24-16-8-4-14(5-9-16)18(20)22-2/h4-11H,1,12H2,2-3H3.
What are the key properties of methyl 4-[2-(4-methoxycarbonylphenoxy)prop-2-enoxy]benzoate?
methyl 4-[2-(4-methoxycarbonylphenoxy)prop-2-enoxy]benzoate has a molecular weight of 342.35 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-methoxycarbonylphenoxy)prop-2-enoxy]benzoate is sourced from PubChem (CID 101211888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).