methyl (Z)-3-methoxy-2-(2-phenylcyclopropyl)prop-2-enoate

C14H16O3 — CID 20832386

IUPACmethyl (Z)-3-methoxy-2-(2-phenylcyclopropyl)prop-2-enoate
SMILESCO/C=C(\C(=O)OC)C1CC1c1ccccc1
InChIInChI=1S/C14H16O3/c1-16-9-13(14(15)17-2)12-8-11(12)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3/b13-9-
InChIKeyHXABOLIVJBOGMO-LCYFTJDESA-N
MW232.28 g/mol
LogP2.49
Rot. Bonds4

About methyl (Z)-3-methoxy-2-(2-phenylcyclopropyl)prop-2-enoate

methyl (Z)-3-methoxy-2-(2-phenylcyclopropyl)prop-2-enoate (PubChem CID 20832386) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl (Z)-3-methoxy-2-(2-phenylcyclopropyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-methoxy-2-(2-phenylcyclopropyl)prop-2-enoate
PubChem CID20832386
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Namemethyl (Z)-3-methoxy-2-(2-phenylcyclopropyl)prop-2-enoate
SMILESCO/C=C(\C(=O)OC)C1CC1c1ccccc1
InChIInChI=1S/C14H16O3/c1-16-9-13(14(15)17-2)12-8-11(12)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3/b13-9-
InChIKeyHXABOLIVJBOGMO-LCYFTJDESA-N
XLogP2.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-3-methoxy-2-(2-naphthalen-2-ylcyclopropyl)prop-2-enoate
CID 20832387
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
methyl 3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanoate
CID 101155586
2,2-dimethoxy-1-(2-phenylcyclopropyl)ethanone
CID 116517110
cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979
methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate
CID 112617050
methyl N-methyl-2-phenylcyclopropane-1-carboximidate
CID 90482560
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
[(1R,2R)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclopropyl]benzene
CID 11672948

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-methoxy-2-(2-phenylcyclopropyl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-methoxy-2-(2-phenylcyclopropyl)prop-2-enoate (CID 20832386) is methyl (Z)-3-methoxy-2-(2-phenylcyclopropyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-methoxy-2-(2-phenylcyclopropyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-methoxy-2-(2-phenylcyclopropyl)prop-2-enoate is CO/C=C(\C(=O)OC)C1CC1c1ccccc1.
What is the InChIKey of methyl (Z)-3-methoxy-2-(2-phenylcyclopropyl)prop-2-enoate?
The InChIKey is HXABOLIVJBOGMO-LCYFTJDESA-N. The full InChI is InChI=1S/C14H16O3/c1-16-9-13(14(15)17-2)12-8-11(12)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3/b13-9-.
What are the key properties of methyl (Z)-3-methoxy-2-(2-phenylcyclopropyl)prop-2-enoate?
methyl (Z)-3-methoxy-2-(2-phenylcyclopropyl)prop-2-enoate has a molecular weight of 232.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-methoxy-2-(2-phenylcyclopropyl)prop-2-enoate is sourced from PubChem (CID 20832386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).