(Z)-5-(2-methylphenyl)pent-4-enoic acid

C12H14O2 — CID 124649897

IUPAC(Z)-5-(2-methylphenyl)pent-4-enoic acid
SMILESCc1ccccc1/C=C\CCC(=O)O
InChIInChI=1S/C12H14O2/c1-10-6-2-3-7-11(10)8-4-5-9-12(13)14/h2-4,6-8H,5,9H2,1H3,(H,13,14)/b8-4-
InChIKeyDRZNYKPVRLVHJG-YWEYNIOJSA-N
MW190.24 g/mol
LogP2.87
Rot. Bonds4

About (Z)-5-(2-methylphenyl)pent-4-enoic acid

(Z)-5-(2-methylphenyl)pent-4-enoic acid (PubChem CID 124649897) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (Z)-5-(2-methylphenyl)pent-4-enoic acid.

Molecular Properties

Compound Name(Z)-5-(2-methylphenyl)pent-4-enoic acid
PubChem CID124649897
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(Z)-5-(2-methylphenyl)pent-4-enoic acid
SMILESCc1ccccc1/C=C\CCC(=O)O
InChIInChI=1S/C12H14O2/c1-10-6-2-3-7-11(10)8-4-5-9-12(13)14/h2-4,6-8H,5,9H2,1H3,(H,13,14)/b8-4-
InChIKeyDRZNYKPVRLVHJG-YWEYNIOJSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-(2-methylphenyl)pent-4-enoic acid?
The IUPAC name of (Z)-5-(2-methylphenyl)pent-4-enoic acid (CID 124649897) is (Z)-5-(2-methylphenyl)pent-4-enoic acid.
What is the SMILES notation for (Z)-5-(2-methylphenyl)pent-4-enoic acid?
The canonical SMILES for (Z)-5-(2-methylphenyl)pent-4-enoic acid is Cc1ccccc1/C=C\CCC(=O)O.
What is the InChIKey of (Z)-5-(2-methylphenyl)pent-4-enoic acid?
The InChIKey is DRZNYKPVRLVHJG-YWEYNIOJSA-N. The full InChI is InChI=1S/C12H14O2/c1-10-6-2-3-7-11(10)8-4-5-9-12(13)14/h2-4,6-8H,5,9H2,1H3,(H,13,14)/b8-4-.
What are the key properties of (Z)-5-(2-methylphenyl)pent-4-enoic acid?
(Z)-5-(2-methylphenyl)pent-4-enoic acid has a molecular weight of 190.24 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(2-methylphenyl)pent-4-enoic acid is sourced from PubChem (CID 124649897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).