methyl 2-ethoxy-7-phenylmethoxy-1,3-benzodioxole-5-carboxylate

C18H18O6 — CID 146393601

IUPACmethyl 2-ethoxy-7-phenylmethoxy-1,3-benzodioxole-5-carboxylate
SMILESCCOC1Oc2cc(C(=O)OC)cc(OCc3ccccc3)c2O1
InChIInChI=1S/C18H18O6/c1-3-21-18-23-15-10-13(17(19)20-2)9-14(16(15)24-18)22-11-12-7-5-4-6-8-12/h4-10,18H,3,11H2,1-2H3
InChIKeyVXRCUNVPJDRFCK-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.14
Rot. Bonds6

About methyl 2-ethoxy-7-phenylmethoxy-1,3-benzodioxole-5-carboxylate

methyl 2-ethoxy-7-phenylmethoxy-1,3-benzodioxole-5-carboxylate (PubChem CID 146393601) has the molecular formula C18H18O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl 2-ethoxy-7-phenylmethoxy-1,3-benzodioxole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethoxy-7-phenylmethoxy-1,3-benzodioxole-5-carboxylate
PubChem CID146393601
Molecular FormulaC18H18O6
Molecular Weight330.34 g/mol
Exact Mass330.11
IUPAC Namemethyl 2-ethoxy-7-phenylmethoxy-1,3-benzodioxole-5-carboxylate
SMILESCCOC1Oc2cc(C(=O)OC)cc(OCc3ccccc3)c2O1
InChIInChI=1S/C18H18O6/c1-3-21-18-23-15-10-13(17(19)20-2)9-14(16(15)24-18)22-11-12-7-5-4-6-8-12/h4-10,18H,3,11H2,1-2H3
InChIKeyVXRCUNVPJDRFCK-UHFFFAOYSA-N
XLogP3.14
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
methyl 3-[(2S)-butan-2-yl]oxy-5-phenylmethoxybenzoate
CID 59127096
methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 151712376
methyl 3-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoate
CID 178077070
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
CID 164892253
methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
CID 17178291
methyl 3-iodo-5-methoxy-4-phenylmethoxybenzoate
CID 91689901
methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate
CID 90391979

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-7-phenylmethoxy-1,3-benzodioxole-5-carboxylate?
The IUPAC name of methyl 2-ethoxy-7-phenylmethoxy-1,3-benzodioxole-5-carboxylate (CID 146393601) is methyl 2-ethoxy-7-phenylmethoxy-1,3-benzodioxole-5-carboxylate.
What is the SMILES notation for methyl 2-ethoxy-7-phenylmethoxy-1,3-benzodioxole-5-carboxylate?
The canonical SMILES for methyl 2-ethoxy-7-phenylmethoxy-1,3-benzodioxole-5-carboxylate is CCOC1Oc2cc(C(=O)OC)cc(OCc3ccccc3)c2O1.
What is the InChIKey of methyl 2-ethoxy-7-phenylmethoxy-1,3-benzodioxole-5-carboxylate?
The InChIKey is VXRCUNVPJDRFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O6/c1-3-21-18-23-15-10-13(17(19)20-2)9-14(16(15)24-18)22-11-12-7-5-4-6-8-12/h4-10,18H,3,11H2,1-2H3.
What are the key properties of methyl 2-ethoxy-7-phenylmethoxy-1,3-benzodioxole-5-carboxylate?
methyl 2-ethoxy-7-phenylmethoxy-1,3-benzodioxole-5-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxy-7-phenylmethoxy-1,3-benzodioxole-5-carboxylate is sourced from PubChem (CID 146393601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).