(2-methoxyphenyl) prop-2-enoate

C10H10O3 — CID 22987486

IUPAC(2-methoxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1ccccc1OC
InChIInChI=1S/C10H10O3/c1-3-10(11)13-9-7-5-4-6-8(9)12-2/h3-7H,1H2,2H3
InChIKeyUGRXGEHQNPBILJ-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.79
Rot. Bonds3

About (2-methoxyphenyl) prop-2-enoate

(2-methoxyphenyl) prop-2-enoate (PubChem CID 22987486) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is (2-methoxyphenyl) prop-2-enoate.

Molecular Properties

Compound Name(2-methoxyphenyl) prop-2-enoate
PubChem CID22987486
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name(2-methoxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1ccccc1OC
InChIInChI=1S/C10H10O3/c1-3-10(11)13-9-7-5-4-6-8(9)12-2/h3-7H,1H2,2H3
InChIKeyUGRXGEHQNPBILJ-UHFFFAOYSA-N
XLogP1.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 67461549
CID 67461549
(2-nitrooxyphenyl) prop-2-enoate
CID 142166891
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
[2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate
CID 89405419
(2-methoxyphenyl) prop-2-enoate;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 145375232
naphthalen-1-yl prop-2-enoate
CID 10192638
2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160674288
[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate
CID 166044944
[2-(methylaminomethyl)phenyl] prop-2-enoate
CID 175008557
[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate
CID 102475466
2-(2-methoxyphenoxy)-2-oxoacetic acid
CID 14886364
(2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate
CID 163406566

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) prop-2-enoate?
The IUPAC name of (2-methoxyphenyl) prop-2-enoate (CID 22987486) is (2-methoxyphenyl) prop-2-enoate.
What is the SMILES notation for (2-methoxyphenyl) prop-2-enoate?
The canonical SMILES for (2-methoxyphenyl) prop-2-enoate is C=CC(=O)Oc1ccccc1OC.
What is the InChIKey of (2-methoxyphenyl) prop-2-enoate?
The InChIKey is UGRXGEHQNPBILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-3-10(11)13-9-7-5-4-6-8(9)12-2/h3-7H,1H2,2H3.
What are the key properties of (2-methoxyphenyl) prop-2-enoate?
(2-methoxyphenyl) prop-2-enoate has a molecular weight of 178.19 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) prop-2-enoate is sourced from PubChem (CID 22987486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).