(2Z)-2-[5-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]acetic acid

C15H16O3 — CID 45051545

IUPAC(2Z)-2-[5-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]acetic acid
SMILESCOc1ccc(C2CC=C/C(=C\C(=O)O)C2)cc1
InChIInChI=1S/C15H16O3/c1-18-14-7-5-12(6-8-14)13-4-2-3-11(9-13)10-15(16)17/h2-3,5-8,10,13H,4,9H2,1H3,(H,16,17)/b11-10+
InChIKeyXDXXCSHUNDOFKX-ZHACJKMWSA-N
MW244.29 g/mol
LogP3.14
Rot. Bonds3

About (2Z)-2-[5-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]acetic acid

(2Z)-2-[5-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]acetic acid (PubChem CID 45051545) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2Z)-2-[5-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]acetic acid.

Molecular Properties

Compound Name(2Z)-2-[5-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]acetic acid
PubChem CID45051545
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(2Z)-2-[5-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]acetic acid
SMILESCOc1ccc(C2CC=C/C(=C\C(=O)O)C2)cc1
InChIInChI=1S/C15H16O3/c1-18-14-7-5-12(6-8-14)13-4-2-3-11(9-13)10-15(16)17/h2-3,5-8,10,13H,4,9H2,1H3,(H,16,17)/b11-10+
InChIKeyXDXXCSHUNDOFKX-ZHACJKMWSA-N
XLogP3.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.14
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

3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 67514282
2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82133438
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
methyl (2R)-2-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxylate
CID 101262561
1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 22145272
1-(4-deuteriocyclohex-3-en-1-yl)-4-methoxybenzene
CID 122393494
2-(4-methoxyphenyl)bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
CID 174158364
CID 131851660
CID 131851660
3-(4-methoxyphenyl)cyclopentan-1-one
CID 14090910
methane;5-(4-methoxyphenyl)piperidine-3-carboxylic acid
CID 159331241
4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 18361933
3-[4-(4-methoxyphenyl)piperidin-1-yl]-3-oxopropanoic acid
CID 110480149

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[5-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]acetic acid?
The IUPAC name of (2Z)-2-[5-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]acetic acid (CID 45051545) is (2Z)-2-[5-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]acetic acid.
What is the SMILES notation for (2Z)-2-[5-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]acetic acid?
The canonical SMILES for (2Z)-2-[5-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]acetic acid is COc1ccc(C2CC=C/C(=C\C(=O)O)C2)cc1.
What is the InChIKey of (2Z)-2-[5-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]acetic acid?
The InChIKey is XDXXCSHUNDOFKX-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H16O3/c1-18-14-7-5-12(6-8-14)13-4-2-3-11(9-13)10-15(16)17/h2-3,5-8,10,13H,4,9H2,1H3,(H,16,17)/b11-10+.
What are the key properties of (2Z)-2-[5-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]acetic acid?
(2Z)-2-[5-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]acetic acid has a molecular weight of 244.29 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[5-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]acetic acid is sourced from PubChem (CID 45051545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).