(2E)-2-[3-(2-methoxyphenyl)cyclopent-2-en-1-ylidene]acetic acid

C14H14O3 — CID 82288716

IUPAC(2E)-2-[3-(2-methoxyphenyl)cyclopent-2-en-1-ylidene]acetic acid
SMILESCOc1ccccc1C1=C/C(=C/C(=O)O)CC1
InChIInChI=1S/C14H14O3/c1-17-13-5-3-2-4-12(13)11-7-6-10(8-11)9-14(15)16/h2-5,8-9H,6-7H2,1H3,(H,15,16)/b10-9+
InChIKeyZEWMFSJZFJEGRV-MDZDMXLPSA-N
MW230.26 g/mol
LogP2.88
Rot. Bonds3

About (2E)-2-[3-(2-methoxyphenyl)cyclopent-2-en-1-ylidene]acetic acid

(2E)-2-[3-(2-methoxyphenyl)cyclopent-2-en-1-ylidene]acetic acid (PubChem CID 82288716) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2E)-2-[3-(2-methoxyphenyl)cyclopent-2-en-1-ylidene]acetic acid.

Molecular Properties

Compound Name(2E)-2-[3-(2-methoxyphenyl)cyclopent-2-en-1-ylidene]acetic acid
PubChem CID82288716
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name(2E)-2-[3-(2-methoxyphenyl)cyclopent-2-en-1-ylidene]acetic acid
SMILESCOc1ccccc1C1=C/C(=C/C(=O)O)CC1
InChIInChI=1S/C14H14O3/c1-17-13-5-3-2-4-12(13)11-7-6-10(8-11)9-14(15)16/h2-5,8-9H,6-7H2,1H3,(H,15,16)/b10-9+
InChIKeyZEWMFSJZFJEGRV-MDZDMXLPSA-N
XLogP2.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one
CID 82811166
(2E)-2-[3-(2-chloro-6-fluorophenyl)cyclopent-2-en-1-ylidene]acetic acid
CID 82298291
2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82475427
(2E)-2-(4-methoxy-3-methyl-2,3-dihydroinden-1-ylidene)acetic acid
CID 82079221
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
3-(2-methoxyphenyl)cyclohept-2-en-1-ol
CID 107383616
(E)-3-[4-(2-methoxyphenyl)phenyl]but-2-enoic acid
CID 82092538
6-(2-methoxyphenyl)cyclohepta-1,6-diene-1-sulfinate
CID 167206496
4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
CID 71742594
3-(2-fluoro-3-methoxyphenyl)cyclohept-2-en-1-one
CID 107383000
1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid
CID 174552806

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[3-(2-methoxyphenyl)cyclopent-2-en-1-ylidene]acetic acid?
The IUPAC name of (2E)-2-[3-(2-methoxyphenyl)cyclopent-2-en-1-ylidene]acetic acid (CID 82288716) is (2E)-2-[3-(2-methoxyphenyl)cyclopent-2-en-1-ylidene]acetic acid.
What is the SMILES notation for (2E)-2-[3-(2-methoxyphenyl)cyclopent-2-en-1-ylidene]acetic acid?
The canonical SMILES for (2E)-2-[3-(2-methoxyphenyl)cyclopent-2-en-1-ylidene]acetic acid is COc1ccccc1C1=C/C(=C/C(=O)O)CC1.
What is the InChIKey of (2E)-2-[3-(2-methoxyphenyl)cyclopent-2-en-1-ylidene]acetic acid?
The InChIKey is ZEWMFSJZFJEGRV-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H14O3/c1-17-13-5-3-2-4-12(13)11-7-6-10(8-11)9-14(15)16/h2-5,8-9H,6-7H2,1H3,(H,15,16)/b10-9+.
What are the key properties of (2E)-2-[3-(2-methoxyphenyl)cyclopent-2-en-1-ylidene]acetic acid?
(2E)-2-[3-(2-methoxyphenyl)cyclopent-2-en-1-ylidene]acetic acid has a molecular weight of 230.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[3-(2-methoxyphenyl)cyclopent-2-en-1-ylidene]acetic acid is sourced from PubChem (CID 82288716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).