methyl 2-(2-prop-2-enoxyethoxymethyl)benzoate

C14H18O4 — CID 145437677

IUPACmethyl 2-(2-prop-2-enoxyethoxymethyl)benzoate
SMILESC=CCOCCOCc1ccccc1C(=O)OC
InChIInChI=1S/C14H18O4/c1-3-8-17-9-10-18-11-12-6-4-5-7-13(12)14(15)16-2/h3-7H,1,8-11H2,2H3
InChIKeyPHJKDNSJLSPOOH-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.19
Rot. Bonds8

About methyl 2-(2-prop-2-enoxyethoxymethyl)benzoate

methyl 2-(2-prop-2-enoxyethoxymethyl)benzoate (PubChem CID 145437677) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl 2-(2-prop-2-enoxyethoxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-prop-2-enoxyethoxymethyl)benzoate
PubChem CID145437677
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namemethyl 2-(2-prop-2-enoxyethoxymethyl)benzoate
SMILESC=CCOCCOCc1ccccc1C(=O)OC
InChIInChI=1S/C14H18O4/c1-3-8-17-9-10-18-11-12-6-4-5-7-13(12)14(15)16-2/h3-7H,1,8-11H2,2H3
InChIKeyPHJKDNSJLSPOOH-UHFFFAOYSA-N
XLogP2.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 145437949
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methyl 2-(penta-2,3-dienoxymethyl)benzoate
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N-[(2S)-1-[methoxy(methyl)amino]-1-oxopent-4-en-2-yl]-2-(2-prop-2-enoxyethoxymethyl)benzamide
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1-[2-(prop-2-enoxymethyl)phenyl]pentan-1-one
CID 100963408
2-O-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate
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CID 90979154

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-prop-2-enoxyethoxymethyl)benzoate?
The IUPAC name of methyl 2-(2-prop-2-enoxyethoxymethyl)benzoate (CID 145437677) is methyl 2-(2-prop-2-enoxyethoxymethyl)benzoate.
What is the SMILES notation for methyl 2-(2-prop-2-enoxyethoxymethyl)benzoate?
The canonical SMILES for methyl 2-(2-prop-2-enoxyethoxymethyl)benzoate is C=CCOCCOCc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-(2-prop-2-enoxyethoxymethyl)benzoate?
The InChIKey is PHJKDNSJLSPOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-8-17-9-10-18-11-12-6-4-5-7-13(12)14(15)16-2/h3-7H,1,8-11H2,2H3.
What are the key properties of methyl 2-(2-prop-2-enoxyethoxymethyl)benzoate?
methyl 2-(2-prop-2-enoxyethoxymethyl)benzoate has a molecular weight of 250.29 g/mol, XLogP of 2.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-prop-2-enoxyethoxymethyl)benzoate is sourced from PubChem (CID 145437677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).