2-cyclopentyloxy-4-propoxybenzoic acid

C15H20O4 — CID 43472393

IUPAC2-cyclopentyloxy-4-propoxybenzoic acid
SMILESCCCOc1ccc(C(=O)O)c(OC2CCCC2)c1
InChIInChI=1S/C15H20O4/c1-2-9-18-12-7-8-13(15(16)17)14(10-12)19-11-5-3-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H,16,17)
InChIKeyUOBRKEXUZLREMN-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.49
Rot. Bonds6

About 2-cyclopentyloxy-4-propoxybenzoic acid

2-cyclopentyloxy-4-propoxybenzoic acid (PubChem CID 43472393) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-cyclopentyloxy-4-propoxybenzoic acid.

Molecular Properties

Compound Name2-cyclopentyloxy-4-propoxybenzoic acid
PubChem CID43472393
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-cyclopentyloxy-4-propoxybenzoic acid
SMILESCCCOc1ccc(C(=O)O)c(OC2CCCC2)c1
InChIInChI=1S/C15H20O4/c1-2-9-18-12-7-8-13(15(16)17)14(10-12)19-11-5-3-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H,16,17)
InChIKeyUOBRKEXUZLREMN-UHFFFAOYSA-N
XLogP3.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
(2-cyclopentyloxy-4-propoxyphenyl)methanol
CID 43472228
1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene
CID 43472484
4-decoxy-2-hexoxybenzoic acid
CID 141156533
2-cyclobutyloxy-4-methylbenzoic acid
CID 62700894
2-[3-(dimethylamino)propoxy]-4-propoxybenzoic acid
CID 114525459
1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine
CID 82927704
4-bromo-2-cyclopentyloxybenzoic acid
CID 60763632
4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
4-chloro-2-cyclobutyloxybenzoic acid
CID 63082704
2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid
CID 63862291
2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-4-propoxybenzoic acid
CID 43472370

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-4-propoxybenzoic acid?
The IUPAC name of 2-cyclopentyloxy-4-propoxybenzoic acid (CID 43472393) is 2-cyclopentyloxy-4-propoxybenzoic acid.
What is the SMILES notation for 2-cyclopentyloxy-4-propoxybenzoic acid?
The canonical SMILES for 2-cyclopentyloxy-4-propoxybenzoic acid is CCCOc1ccc(C(=O)O)c(OC2CCCC2)c1.
What is the InChIKey of 2-cyclopentyloxy-4-propoxybenzoic acid?
The InChIKey is UOBRKEXUZLREMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-2-9-18-12-7-8-13(15(16)17)14(10-12)19-11-5-3-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H,16,17).
What are the key properties of 2-cyclopentyloxy-4-propoxybenzoic acid?
2-cyclopentyloxy-4-propoxybenzoic acid has a molecular weight of 264.32 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-4-propoxybenzoic acid is sourced from PubChem (CID 43472393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).