4-(4-cyclopentyloxyphenyl)-3-(methoxymethyl)benzoic acid

C20H22O4 — CID 57134892

IUPAC4-(4-cyclopentyloxyphenyl)-3-(methoxymethyl)benzoic acid
SMILESCOCc1cc(C(=O)O)ccc1-c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C20H22O4/c1-23-13-16-12-15(20(21)22)8-11-19(16)14-6-9-18(10-7-14)24-17-4-2-3-5-17/h6-12,17H,2-5,13H2,1H3,(H,21,22)
InChIKeySAPZXGXZYZNMGD-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.52
Rot. Bonds6

About 4-(4-cyclopentyloxyphenyl)-3-(methoxymethyl)benzoic acid

4-(4-cyclopentyloxyphenyl)-3-(methoxymethyl)benzoic acid (PubChem CID 57134892) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 4-(4-cyclopentyloxyphenyl)-3-(methoxymethyl)benzoic acid.

Molecular Properties

Compound Name4-(4-cyclopentyloxyphenyl)-3-(methoxymethyl)benzoic acid
PubChem CID57134892
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name4-(4-cyclopentyloxyphenyl)-3-(methoxymethyl)benzoic acid
SMILESCOCc1cc(C(=O)O)ccc1-c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C20H22O4/c1-23-13-16-12-15(20(21)22)8-11-19(16)14-6-9-18(10-7-14)24-17-4-2-3-5-17/h6-12,17H,2-5,13H2,1H3,(H,21,22)
InChIKeySAPZXGXZYZNMGD-UHFFFAOYSA-N
XLogP4.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyloxyphenyl)-3-(methoxymethyl)benzoic acid?
The IUPAC name of 4-(4-cyclopentyloxyphenyl)-3-(methoxymethyl)benzoic acid (CID 57134892) is 4-(4-cyclopentyloxyphenyl)-3-(methoxymethyl)benzoic acid.
What is the SMILES notation for 4-(4-cyclopentyloxyphenyl)-3-(methoxymethyl)benzoic acid?
The canonical SMILES for 4-(4-cyclopentyloxyphenyl)-3-(methoxymethyl)benzoic acid is COCc1cc(C(=O)O)ccc1-c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 4-(4-cyclopentyloxyphenyl)-3-(methoxymethyl)benzoic acid?
The InChIKey is SAPZXGXZYZNMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-23-13-16-12-15(20(21)22)8-11-19(16)14-6-9-18(10-7-14)24-17-4-2-3-5-17/h6-12,17H,2-5,13H2,1H3,(H,21,22).
What are the key properties of 4-(4-cyclopentyloxyphenyl)-3-(methoxymethyl)benzoic acid?
4-(4-cyclopentyloxyphenyl)-3-(methoxymethyl)benzoic acid has a molecular weight of 326.39 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyloxyphenyl)-3-(methoxymethyl)benzoic acid is sourced from PubChem (CID 57134892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).