2-cyclopentyloxy-5-(3,4,5-trimethoxyphenyl)benzoic acid

C21H24O6 — CID 69110406

IUPAC2-cyclopentyloxy-5-(3,4,5-trimethoxyphenyl)benzoic acid
SMILESCOc1cc(-c2ccc(OC3CCCC3)c(C(=O)O)c2)cc(OC)c1OC
InChIInChI=1S/C21H24O6/c1-24-18-11-14(12-19(25-2)20(18)26-3)13-8-9-17(16(10-13)21(22)23)27-15-6-4-5-7-15/h8-12,15H,4-7H2,1-3H3,(H,22,23)
InChIKeyMZQBYWLBAKLZSU-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.40
Rot. Bonds7

About 2-cyclopentyloxy-5-(3,4,5-trimethoxyphenyl)benzoic acid

2-cyclopentyloxy-5-(3,4,5-trimethoxyphenyl)benzoic acid (PubChem CID 69110406) has the molecular formula C21H24O6 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-cyclopentyloxy-5-(3,4,5-trimethoxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-cyclopentyloxy-5-(3,4,5-trimethoxyphenyl)benzoic acid
PubChem CID69110406
Molecular FormulaC21H24O6
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name2-cyclopentyloxy-5-(3,4,5-trimethoxyphenyl)benzoic acid
SMILESCOc1cc(-c2ccc(OC3CCCC3)c(C(=O)O)c2)cc(OC)c1OC
InChIInChI=1S/C21H24O6/c1-24-18-11-14(12-19(25-2)20(18)26-3)13-8-9-17(16(10-13)21(22)23)27-15-6-4-5-7-15/h8-12,15H,4-7H2,1-3H3,(H,22,23)
InChIKeyMZQBYWLBAKLZSU-UHFFFAOYSA-N
XLogP4.40
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyloxy-5-iodobenzoic acid
CID 82995934
5-(3,4-dimethylphenyl)-2,3-dimethoxybenzoic acid
CID 82107051
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid
CID 61379309
5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid
CID 113438795
bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone
CID 67693091
2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid
CID 22145848
4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11439916
N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]acetamide
CID 21472770
2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene
CID 18778842
4-bromo-2-cyclopentyloxybenzoic acid
CID 60763632

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-5-(3,4,5-trimethoxyphenyl)benzoic acid?
The IUPAC name of 2-cyclopentyloxy-5-(3,4,5-trimethoxyphenyl)benzoic acid (CID 69110406) is 2-cyclopentyloxy-5-(3,4,5-trimethoxyphenyl)benzoic acid.
What is the SMILES notation for 2-cyclopentyloxy-5-(3,4,5-trimethoxyphenyl)benzoic acid?
The canonical SMILES for 2-cyclopentyloxy-5-(3,4,5-trimethoxyphenyl)benzoic acid is COc1cc(-c2ccc(OC3CCCC3)c(C(=O)O)c2)cc(OC)c1OC.
What is the InChIKey of 2-cyclopentyloxy-5-(3,4,5-trimethoxyphenyl)benzoic acid?
The InChIKey is MZQBYWLBAKLZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O6/c1-24-18-11-14(12-19(25-2)20(18)26-3)13-8-9-17(16(10-13)21(22)23)27-15-6-4-5-7-15/h8-12,15H,4-7H2,1-3H3,(H,22,23).
What are the key properties of 2-cyclopentyloxy-5-(3,4,5-trimethoxyphenyl)benzoic acid?
2-cyclopentyloxy-5-(3,4,5-trimethoxyphenyl)benzoic acid has a molecular weight of 372.42 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-5-(3,4,5-trimethoxyphenyl)benzoic acid is sourced from PubChem (CID 69110406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).