2-ethyl-2-hydroxy-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid

C16H22O4 — CID 68674747

IUPAC2-ethyl-2-hydroxy-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCCC1(O)CCCCC1(C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C16H22O4/c1-3-15(19)10-4-5-11-16(15,14(17)18)12-6-8-13(20-2)9-7-12/h6-9,19H,3-5,10-11H2,1-2H3,(H,17,18)
InChIKeyIYVTWZIDYYSUHY-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.73
Rot. Bonds4

About 2-ethyl-2-hydroxy-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid

2-ethyl-2-hydroxy-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid (PubChem CID 68674747) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-ethyl-2-hydroxy-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-2-hydroxy-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
PubChem CID68674747
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name2-ethyl-2-hydroxy-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCCC1(O)CCCCC1(C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C16H22O4/c1-3-15(19)10-4-5-11-16(15,14(17)18)12-6-8-13(20-2)9-7-12/h6-9,19H,3-5,10-11H2,1-2H3,(H,17,18)
InChIKeyIYVTWZIDYYSUHY-UHFFFAOYSA-N
XLogP2.73
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid
CID 162909891
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate;tungsten
CID 160932585
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate
CID 22899845
1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid
CID 82131438
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120684629
N-[1-(methoxymethyl)cyclopentyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 77087240
8-(4-methoxyphenyl)spiro[4.5]decan-8-ol
CID 114819307
ethyl formate;1-(4-methoxyphenyl)cyclobutan-1-ol
CID 174816439
[4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate
CID 90310480

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hydroxy-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-ethyl-2-hydroxy-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid (CID 68674747) is 2-ethyl-2-hydroxy-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-ethyl-2-hydroxy-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-ethyl-2-hydroxy-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid is CCC1(O)CCCCC1(C(=O)O)c1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-2-hydroxy-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is IYVTWZIDYYSUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-3-15(19)10-4-5-11-16(15,14(17)18)12-6-8-13(20-2)9-7-12/h6-9,19H,3-5,10-11H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-2-hydroxy-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid?
2-ethyl-2-hydroxy-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxy-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 68674747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).