(E)-3-hydroxy-5-(2-methylphenyl)pent-4-enoic acid

C12H14O3 — CID 22261798

IUPAC(E)-3-hydroxy-5-(2-methylphenyl)pent-4-enoic acid
SMILESCc1ccccc1/C=C/C(O)CC(=O)O
InChIInChI=1S/C12H14O3/c1-9-4-2-3-5-10(9)6-7-11(13)8-12(14)15/h2-7,11,13H,8H2,1H3,(H,14,15)/b7-6+
InChIKeyCAEUSJNUNFYZAH-VOTSOKGWSA-N
MW206.24 g/mol
LogP1.84
Rot. Bonds4

About (E)-3-hydroxy-5-(2-methylphenyl)pent-4-enoic acid

(E)-3-hydroxy-5-(2-methylphenyl)pent-4-enoic acid (PubChem CID 22261798) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (E)-3-hydroxy-5-(2-methylphenyl)pent-4-enoic acid.

Molecular Properties

Compound Name(E)-3-hydroxy-5-(2-methylphenyl)pent-4-enoic acid
PubChem CID22261798
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(E)-3-hydroxy-5-(2-methylphenyl)pent-4-enoic acid
SMILESCc1ccccc1/C=C/C(O)CC(=O)O
InChIInChI=1S/C12H14O3/c1-9-4-2-3-5-10(9)6-7-11(13)8-12(14)15/h2-7,11,13H,8H2,1H3,(H,14,15)/b7-6+
InChIKeyCAEUSJNUNFYZAH-VOTSOKGWSA-N
XLogP1.84
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-5-(2-methylphenyl)pent-4-enoic acid
CID 124649897
4-[3-(2-methylphenyl)prop-2-enoylamino]pentanoic acid
CID 77020437
(4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid
CID 23428026
(Z)-7-(2-methylphenyl)hept-6-enoic acid
CID 175666421
2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]butanoic acid
CID 43387414
3-[[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]methyl]pentanoic acid
CID 81064774
butyl (Z)-3-methyl-5-(2-methylphenyl)pent-4-enoate
CID 44606891
4-[[(E)-3-(2-methylphenyl)prop-2-enoyl]-propan-2-ylamino]butanoic acid
CID 60825848
4-methyl-5-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]pentanoic acid
CID 82009524
[(E)-2-(2-methylphenyl)ethenyl]phosphonic acid
CID 19434418
1-methyl-2-[(E)-3-phenylhex-1-enyl]benzene
CID 143657979
(3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid
CID 67621465

Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-5-(2-methylphenyl)pent-4-enoic acid?
The IUPAC name of (E)-3-hydroxy-5-(2-methylphenyl)pent-4-enoic acid (CID 22261798) is (E)-3-hydroxy-5-(2-methylphenyl)pent-4-enoic acid.
What is the SMILES notation for (E)-3-hydroxy-5-(2-methylphenyl)pent-4-enoic acid?
The canonical SMILES for (E)-3-hydroxy-5-(2-methylphenyl)pent-4-enoic acid is Cc1ccccc1/C=C/C(O)CC(=O)O.
What is the InChIKey of (E)-3-hydroxy-5-(2-methylphenyl)pent-4-enoic acid?
The InChIKey is CAEUSJNUNFYZAH-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H14O3/c1-9-4-2-3-5-10(9)6-7-11(13)8-12(14)15/h2-7,11,13H,8H2,1H3,(H,14,15)/b7-6+.
What are the key properties of (E)-3-hydroxy-5-(2-methylphenyl)pent-4-enoic acid?
(E)-3-hydroxy-5-(2-methylphenyl)pent-4-enoic acid has a molecular weight of 206.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-5-(2-methylphenyl)pent-4-enoic acid is sourced from PubChem (CID 22261798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).