(E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane

C14H18O3 — CID 67564177

IUPAC(E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane
SMILESCC1CC1.COc1ccc(/C=C/C(=O)O)cc1
InChIInChI=1S/C10H10O3.C4H8/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;1-4-2-3-4/h2-7H,1H3,(H,11,12);4H,2-3H2,1H3/b7-4+;
InChIKeyUOMVSCNWETXGAO-KQGICBIGSA-N
MW234.30 g/mol
LogP3.21
Rot. Bonds3

About (E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane

(E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane (PubChem CID 67564177) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane
PubChem CID67564177
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane
SMILESCC1CC1.COc1ccc(/C=C/C(=O)O)cc1
InChIInChI=1S/C10H10O3.C4H8/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;1-4-2-3-4/h2-7H,1H3,(H,11,12);4H,2-3H2,1H3/b7-4+;
InChIKeyUOMVSCNWETXGAO-KQGICBIGSA-N
XLogP3.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
CID 69129935
CID 69129935
3-[4-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 20993961
(E)-3-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 881729
CID 59090938
CID 59090938
3-(4-methoxyphenyl)prop-2-enoic acid;propyl propanoate
CID 159554839
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
(E)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 27912646
(E)-3-(4-methoxyphenyl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 898049
potassium (E)-4-(4-methoxyphenyl)-2-oxobut-3-enoic acid
CID 54609624
(E)-3-(4-methoxyphenyl)prop-2-enoyl chloride;toluene
CID 118117364
3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid
CID 71336334

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane?
The IUPAC name of (E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane (CID 67564177) is (E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane?
The canonical SMILES for (E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane is CC1CC1.COc1ccc(/C=C/C(=O)O)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane?
The InChIKey is UOMVSCNWETXGAO-KQGICBIGSA-N. The full InChI is InChI=1S/C10H10O3.C4H8/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;1-4-2-3-4/h2-7H,1H3,(H,11,12);4H,2-3H2,1H3/b7-4+;.
What are the key properties of (E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane?
(E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane has a molecular weight of 234.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane is sourced from PubChem (CID 67564177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).