2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid

C15H20O3 — CID 81008651

IUPAC2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCCOc1ccccc1C1CCCCC1C(=O)O
InChIInChI=1S/C15H20O3/c1-2-18-14-10-6-5-8-12(14)11-7-3-4-9-13(11)15(16)17/h5-6,8,10-11,13H,2-4,7,9H2,1H3,(H,16,17)
InChIKeyYDXXTBHFDGBMDQ-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.44
Rot. Bonds4

About 2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid

2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid (PubChem CID 81008651) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid
PubChem CID81008651
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCCOc1ccccc1C1CCCCC1C(=O)O
InChIInChI=1S/C15H20O3/c1-2-18-14-10-6-5-8-12(14)11-7-3-4-9-13(11)15(16)17/h5-6,8,10-11,13H,2-4,7,9H2,1H3,(H,16,17)
InChIKeyYDXXTBHFDGBMDQ-UHFFFAOYSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid
CID 104663378
2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814568
2-(2-ethoxyphenyl)cyclopentan-1-ol
CID 62801074
3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105359780
1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine
CID 81028262
2-(3-ethoxy-2-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 82228543
(1R)-N-(cyanomethyl)-2-[2-(2-ethoxyphenyl)phenyl]cyclohexane-1-carboxamide
CID 87877733
[2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone
CID 116584488
(3R,4S)-4-(2-ethoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 129493649
cis-(1R,2R)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236736
cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236728
2-(2-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 63379248

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid (CID 81008651) is 2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid is CCOc1ccccc1C1CCCCC1C(=O)O.
What is the InChIKey of 2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is YDXXTBHFDGBMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-2-18-14-10-6-5-8-12(14)11-7-3-4-9-13(11)15(16)17/h5-6,8,10-11,13H,2-4,7,9H2,1H3,(H,16,17).
What are the key properties of 2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid?
2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 248.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81008651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).