dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate

C14H16O5 — CID 132540324

IUPACdimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC1c1cccc(OC)c1
InChIInChI=1S/C14H16O5/c1-17-10-6-4-5-9(7-10)11-8-14(11,12(15)18-2)13(16)19-3/h4-7,11H,8H2,1-3H3
InChIKeyPBQUZCHEEZELFF-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.51
Rot. Bonds4

About dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate

dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate (PubChem CID 132540324) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate
PubChem CID132540324
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Namedimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC1c1cccc(OC)c1
InChIInChI=1S/C14H16O5/c1-17-10-6-4-5-9(7-10)11-8-14(11,12(15)18-2)13(16)19-3/h4-7,11H,8H2,1-3H3
InChIKeyPBQUZCHEEZELFF-UHFFFAOYSA-N
XLogP1.51
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate
CID 101387645
dimethyl 2-[3-(3-methoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylate
CID 46188325
methyl 2-(4-methoxyphenyl)-1-[(E)-2-methylbut-2-enoyl]cyclopropane-1-carboxylate
CID 102264444
methyl (2R,4R,5S)-5-(3-methoxyphenyl)-2-methyl-4-propanoylpyrrolidine-2-carboxylate
CID 137333560
cis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate
CID 44557655
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
tert-butyl 4-amino-3-(3-methoxyphenyl)bicyclo[2.2.2]octane-1-carboxylate
CID 176682722
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
methyl (3R,5R)-5-(3-methoxyphenyl)piperidine-3-carboxylate
CID 99942655
methyl (4S)-4-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate
CID 134409869
[4-(3-methoxyphenyl)cyclohexyl]carbamic acid
CID 69226808
5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one
CID 71170186

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate?
The IUPAC name of dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate (CID 132540324) is dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)CC1c1cccc(OC)c1.
What is the InChIKey of dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate?
The InChIKey is PBQUZCHEEZELFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-17-10-6-4-5-9(7-10)11-8-14(11,12(15)18-2)13(16)19-3/h4-7,11H,8H2,1-3H3.
What are the key properties of dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate?
dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate has a molecular weight of 264.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 132540324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).