(E)-3-(4-methylphenyl)prop-2-enoic acid

C10H10O2 — CID 731767

IUPAC(E)-3-(4-methylphenyl)prop-2-enoic acid
SMILESCc1ccc(/C=C/C(=O)O)cc1
InChIInChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+
InChIKeyRURHILYUWQEGOS-VOTSOKGWSA-N
MW162.19 g/mol
LogP2.09
Rot. Bonds2

About (E)-3-(4-methylphenyl)prop-2-enoic acid

(E)-3-(4-methylphenyl)prop-2-enoic acid (PubChem CID 731767) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)prop-2-enoic acid
PubChem CID731767
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(E)-3-(4-methylphenyl)prop-2-enoic acid
SMILESCc1ccc(/C=C/C(=O)O)cc1
InChIInChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+
InChIKeyRURHILYUWQEGOS-VOTSOKGWSA-N
XLogP2.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enoic acid
CID 123339824
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
(E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid
CID 116866093
(E)-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
CID 175665468
3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
CID 68584496
(E)-3-[4-(2-methylprop-1-enyl)phenyl]prop-2-enoic acid
CID 19814193
(Z)-3-phenylprop-2-enoic acid
CID 5372954
tris(3-(4-hydroxyphenyl)prop-2-enoic acid);lanthanum
CID 153328544
azanium 4-[(E)-2-carboxyethenyl]phenolate
CID 54720228
3-phenylprop-2-enoic acid;trimethylsilane
CID 175438890
(E)-3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enoic acid
CID 169482234
3-[4-(3,5-dimethylphenoxy)phenyl]prop-2-enoic acid
CID 20988627

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(4-methylphenyl)prop-2-enoic acid (CID 731767) is (E)-3-(4-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(4-methylphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(4-methylphenyl)prop-2-enoic acid is Cc1ccc(/C=C/C(=O)O)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)prop-2-enoic acid?
The InChIKey is RURHILYUWQEGOS-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+.
What are the key properties of (E)-3-(4-methylphenyl)prop-2-enoic acid?
(E)-3-(4-methylphenyl)prop-2-enoic acid has a molecular weight of 162.19 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 731767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).