2-methoxy-3-phenylprop-2-enoic acid

C10H10O3 — CID 7021154

IUPAC2-methoxy-3-phenylprop-2-enoic acid
SMILESCOC(=Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H10O3/c1-13-9(10(11)12)7-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)
InChIKeyCNXZMGRWEYQCOQ-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.76
Rot. Bonds3

About 2-methoxy-3-phenylprop-2-enoic acid

2-methoxy-3-phenylprop-2-enoic acid (PubChem CID 7021154) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-methoxy-3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name2-methoxy-3-phenylprop-2-enoic acid
PubChem CID7021154
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name2-methoxy-3-phenylprop-2-enoic acid
SMILESCOC(=Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H10O3/c1-13-9(10(11)12)7-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)
InChIKeyCNXZMGRWEYQCOQ-UHFFFAOYSA-N
XLogP1.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

CID 159805914
CID 159805914
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 15965811
strontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate)
CID 87864699
3-(3-bromophenyl)-2-methoxyprop-2-enoic acid
CID 67763636
2-methoxy-3-phenylprop-2-enoic acid;octyl 2-methoxy-3-phenylprop-2-enoate
CID 162017685
azane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177562
methanamine;2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177580
2-methoxy-3-(2-methylphenyl)prop-2-enoic acid
CID 130704139
ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 173177600
2-methoxyethyl 2-methoxy-3-phenylprop-2-enoate
CID 150649669
2-(3,5-dimethoxyphenoxy)-3-phenylprop-2-enoic acid
CID 139651308

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-phenylprop-2-enoic acid?
The IUPAC name of 2-methoxy-3-phenylprop-2-enoic acid (CID 7021154) is 2-methoxy-3-phenylprop-2-enoic acid.
What is the SMILES notation for 2-methoxy-3-phenylprop-2-enoic acid?
The canonical SMILES for 2-methoxy-3-phenylprop-2-enoic acid is COC(=Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-methoxy-3-phenylprop-2-enoic acid?
The InChIKey is CNXZMGRWEYQCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-13-9(10(11)12)7-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12).
What are the key properties of 2-methoxy-3-phenylprop-2-enoic acid?
2-methoxy-3-phenylprop-2-enoic acid has a molecular weight of 178.19 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-phenylprop-2-enoic acid is sourced from PubChem (CID 7021154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).