1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid

C15H20O4 — CID 82133597

IUPAC1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid
SMILESCCOc1ccc(OC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C15H20O4/c1-2-18-12-6-8-13(9-7-12)19-15(14(16)17)10-4-3-5-11-15/h6-9H,2-5,10-11H2,1H3,(H,16,17)
InChIKeyPTSTYGYXLIWLQQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.25
Rot. Bonds5

About 1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid

1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid (PubChem CID 82133597) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid
PubChem CID82133597
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid
SMILESCCOc1ccc(OC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C15H20O4/c1-2-18-12-6-8-13(9-7-12)19-15(14(16)17)10-4-3-5-11-15/h6-9H,2-5,10-11H2,1H3,(H,16,17)
InChIKeyPTSTYGYXLIWLQQ-UHFFFAOYSA-N
XLogP3.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenoxy)cyclopentane-1-carboxylic acid
CID 82129224
1-(4-ethoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937797
1-(2-ethoxyphenoxy)cyclopentane-1-carboxylic acid
CID 82131439
1-[(6-bromo-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid
CID 101461853
1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 58304082
1-(4-ethoxyphenyl)sulfanylcyclobutane-1-carboxylic acid
CID 116855429
(2S)-2-[(4-ethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 25030154
N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712217
1-[2-(4-ethoxyphenoxy)ethylamino]cyclobutane-1-carboxylic acid
CID 81167838
methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate
CID 143039549
(4-ethoxyphenyl) 1-butylcyclohexane-1-carboxylate
CID 54203022
4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64866990

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid (CID 82133597) is 1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid is CCOc1ccc(OC2(C(=O)O)CCCCC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid?
The InChIKey is PTSTYGYXLIWLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-2-18-12-6-8-13(9-7-12)19-15(14(16)17)10-4-3-5-11-15/h6-9H,2-5,10-11H2,1H3,(H,16,17).
What are the key properties of 1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid?
1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82133597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).