(Z)-2-chloro-3-(2-methylphenyl)prop-2-enoic acid

C10H9ClO2 — CID 88641659

IUPAC(Z)-2-chloro-3-(2-methylphenyl)prop-2-enoic acid
SMILESCc1ccccc1/C=C(\Cl)C(=O)O
InChIInChI=1S/C10H9ClO2/c1-7-4-2-3-5-8(7)6-9(11)10(12)13/h2-6H,1H3,(H,12,13)/b9-6-
InChIKeyWCGAGGASQSHRSQ-TWGQIWQCSA-N
MW196.63 g/mol
LogP2.66
Rot. Bonds2

About (Z)-2-chloro-3-(2-methylphenyl)prop-2-enoic acid

(Z)-2-chloro-3-(2-methylphenyl)prop-2-enoic acid (PubChem CID 88641659) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is (Z)-2-chloro-3-(2-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-chloro-3-(2-methylphenyl)prop-2-enoic acid
PubChem CID88641659
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name(Z)-2-chloro-3-(2-methylphenyl)prop-2-enoic acid
SMILESCc1ccccc1/C=C(\Cl)C(=O)O
InChIInChI=1S/C10H9ClO2/c1-7-4-2-3-5-8(7)6-9(11)10(12)13/h2-6H,1H3,(H,12,13)/b9-6-
InChIKeyWCGAGGASQSHRSQ-TWGQIWQCSA-N
XLogP2.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 52.66
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-(2-bromophenyl)-2-chloroprop-2-enoic acid
CID 175924975
2-methoxy-3-(2-methylphenyl)prop-2-enoic acid
CID 130704139
(Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid
CID 83954367
benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene
CID 144639766
(Z)-2-(2,5-dimethylphenyl)-3-(2-methylphenyl)prop-2-enoic acid
CID 83954371
(E)-1-methoxy-2-(2-methylphenyl)ethenol
CID 135049956
(E)-2-benzoyl-3-(2-methylphenyl)prop-2-enenitrile
CID 7995075
1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene
CID 131387958
buta-1,3-diene;1-ethenyl-2-methylbenzene;2-methylprop-2-enoic acid
CID 175445378
1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene
CID 162730424
(2E)-2-[(2-methylphenyl)methylidene]nonanal
CID 118666956
ethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate
CID 12904653

Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-3-(2-methylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-chloro-3-(2-methylphenyl)prop-2-enoic acid (CID 88641659) is (Z)-2-chloro-3-(2-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-chloro-3-(2-methylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-chloro-3-(2-methylphenyl)prop-2-enoic acid is Cc1ccccc1/C=C(\Cl)C(=O)O.
What is the InChIKey of (Z)-2-chloro-3-(2-methylphenyl)prop-2-enoic acid?
The InChIKey is WCGAGGASQSHRSQ-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H9ClO2/c1-7-4-2-3-5-8(7)6-9(11)10(12)13/h2-6H,1H3,(H,12,13)/b9-6-.
What are the key properties of (Z)-2-chloro-3-(2-methylphenyl)prop-2-enoic acid?
(Z)-2-chloro-3-(2-methylphenyl)prop-2-enoic acid has a molecular weight of 196.63 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-3-(2-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 88641659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).