2-[[4-(4-hydroxy-2-methoxyphenyl)-2-methoxyphenyl]carbamoyl]cyclopentene-1-carboxylic acid

C21H21NO6 — CID 131969768

IUPAC2-[[4-(4-hydroxy-2-methoxyphenyl)-2-methoxyphenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESCOc1cc(-c2ccc(O)cc2OC)ccc1NC(=O)C1=C(C(=O)O)CCC1
InChIInChI=1S/C21H21NO6/c1-27-18-11-13(23)7-8-14(18)12-6-9-17(19(10-12)28-2)22-20(24)15-4-3-5-16(15)21(25)26/h6-11,23H,3-5H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyYLFBVCYGNBNGSR-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.58
Rot. Bonds6

About 2-[[4-(4-hydroxy-2-methoxyphenyl)-2-methoxyphenyl]carbamoyl]cyclopentene-1-carboxylic acid

2-[[4-(4-hydroxy-2-methoxyphenyl)-2-methoxyphenyl]carbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 131969768) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-[[4-(4-hydroxy-2-methoxyphenyl)-2-methoxyphenyl]carbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(4-hydroxy-2-methoxyphenyl)-2-methoxyphenyl]carbamoyl]cyclopentene-1-carboxylic acid
PubChem CID131969768
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name2-[[4-(4-hydroxy-2-methoxyphenyl)-2-methoxyphenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESCOc1cc(-c2ccc(O)cc2OC)ccc1NC(=O)C1=C(C(=O)O)CCC1
InChIInChI=1S/C21H21NO6/c1-27-18-11-13(23)7-8-14(18)12-6-9-17(19(10-12)28-2)22-20(24)15-4-3-5-16(15)21(25)26/h6-11,23H,3-5H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyYLFBVCYGNBNGSR-UHFFFAOYSA-N
XLogP3.58
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxy-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid
CID 21084767
2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270356
[2-[[2-fluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carbonyl] 2-[[2-methoxy-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylate
CID 87662420
N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide
CID 4537878
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
6-(4-hydroxy-2-methoxyphenyl)naphthalen-2-ol
CID 10125342
2-[(2-ethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid
CID 68838404
2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 137436494
2-[[2-fluoro-4-(4-methylsulfanylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084761
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
2-[[4-[2-methyl-4-(2-methylphenyl)anilino]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 163735487
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-hydroxy-2-methoxyphenyl)-2-methoxyphenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[[4-(4-hydroxy-2-methoxyphenyl)-2-methoxyphenyl]carbamoyl]cyclopentene-1-carboxylic acid (CID 131969768) is 2-[[4-(4-hydroxy-2-methoxyphenyl)-2-methoxyphenyl]carbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(4-hydroxy-2-methoxyphenyl)-2-methoxyphenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[[4-(4-hydroxy-2-methoxyphenyl)-2-methoxyphenyl]carbamoyl]cyclopentene-1-carboxylic acid is COc1cc(-c2ccc(O)cc2OC)ccc1NC(=O)C1=C(C(=O)O)CCC1.
What is the InChIKey of 2-[[4-(4-hydroxy-2-methoxyphenyl)-2-methoxyphenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is YLFBVCYGNBNGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6/c1-27-18-11-13(23)7-8-14(18)12-6-9-17(19(10-12)28-2)22-20(24)15-4-3-5-16(15)21(25)26/h6-11,23H,3-5H2,1-2H3,(H,22,24)(H,25,26).
What are the key properties of 2-[[4-(4-hydroxy-2-methoxyphenyl)-2-methoxyphenyl]carbamoyl]cyclopentene-1-carboxylic acid?
2-[[4-(4-hydroxy-2-methoxyphenyl)-2-methoxyphenyl]carbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 383.40 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-hydroxy-2-methoxyphenyl)-2-methoxyphenyl]carbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 131969768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).