2-[2-hydroxy-5-(2-methoxyphenyl)-2-bicyclo[2.2.2]oct-5-enyl]acetic acid

C17H20O4 — CID 68720523

IUPAC2-[2-hydroxy-5-(2-methoxyphenyl)-2-bicyclo[2.2.2]oct-5-enyl]acetic acid
SMILESCOc1ccccc1C1=CC2CCC1CC2(O)CC(=O)O
InChIInChI=1S/C17H20O4/c1-21-15-5-3-2-4-13(15)14-8-12-7-6-11(14)9-17(12,20)10-16(18)19/h2-5,8,11-12,20H,6-7,9-10H2,1H3,(H,18,19)
InChIKeyKRZQFGFPSJWFQI-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.71
Rot. Bonds4

About 2-[2-hydroxy-5-(2-methoxyphenyl)-2-bicyclo[2.2.2]oct-5-enyl]acetic acid

2-[2-hydroxy-5-(2-methoxyphenyl)-2-bicyclo[2.2.2]oct-5-enyl]acetic acid (PubChem CID 68720523) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[2-hydroxy-5-(2-methoxyphenyl)-2-bicyclo[2.2.2]oct-5-enyl]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxy-5-(2-methoxyphenyl)-2-bicyclo[2.2.2]oct-5-enyl]acetic acid
PubChem CID68720523
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name2-[2-hydroxy-5-(2-methoxyphenyl)-2-bicyclo[2.2.2]oct-5-enyl]acetic acid
SMILESCOc1ccccc1C1=CC2CCC1CC2(O)CC(=O)O
InChIInChI=1S/C17H20O4/c1-21-15-5-3-2-4-13(15)14-8-12-7-6-11(14)9-17(12,20)10-16(18)19/h2-5,8,11-12,20H,6-7,9-10H2,1H3,(H,18,19)
InChIKeyKRZQFGFPSJWFQI-UHFFFAOYSA-N
XLogP2.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-5-(2-methoxyphenyl)-2-bicyclo[2.2.2]oct-5-enyl] 2-methylpropanoate
CID 90749771
(1S,2S,4S)-2-[2-[3-(4,7-dimethoxy-1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-5-phenylbicyclo[2.2.2]oct-5-en-2-ol
CID 66877125
2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid
CID 117453777
2-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]acetic acid
CID 82389837
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39362994
(2E)-2-[3-(2-methoxyphenyl)cyclopent-2-en-1-ylidene]acetic acid
CID 82288716
(Z)-3-cyclopropyl-4-(2-methoxyphenyl)but-2-enoic acid
CID 82082372
3-hydroxy-3-(2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 80502483
2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid
CID 84787352
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid
CID 103272411

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-5-(2-methoxyphenyl)-2-bicyclo[2.2.2]oct-5-enyl]acetic acid?
The IUPAC name of 2-[2-hydroxy-5-(2-methoxyphenyl)-2-bicyclo[2.2.2]oct-5-enyl]acetic acid (CID 68720523) is 2-[2-hydroxy-5-(2-methoxyphenyl)-2-bicyclo[2.2.2]oct-5-enyl]acetic acid.
What is the SMILES notation for 2-[2-hydroxy-5-(2-methoxyphenyl)-2-bicyclo[2.2.2]oct-5-enyl]acetic acid?
The canonical SMILES for 2-[2-hydroxy-5-(2-methoxyphenyl)-2-bicyclo[2.2.2]oct-5-enyl]acetic acid is COc1ccccc1C1=CC2CCC1CC2(O)CC(=O)O.
What is the InChIKey of 2-[2-hydroxy-5-(2-methoxyphenyl)-2-bicyclo[2.2.2]oct-5-enyl]acetic acid?
The InChIKey is KRZQFGFPSJWFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-21-15-5-3-2-4-13(15)14-8-12-7-6-11(14)9-17(12,20)10-16(18)19/h2-5,8,11-12,20H,6-7,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[2-hydroxy-5-(2-methoxyphenyl)-2-bicyclo[2.2.2]oct-5-enyl]acetic acid?
2-[2-hydroxy-5-(2-methoxyphenyl)-2-bicyclo[2.2.2]oct-5-enyl]acetic acid has a molecular weight of 288.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-5-(2-methoxyphenyl)-2-bicyclo[2.2.2]oct-5-enyl]acetic acid is sourced from PubChem (CID 68720523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).