2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid

C16H22O3 — CID 80742277

IUPAC2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid
SMILESCC1CCC(Oc2ccccc2CC(=O)O)CC1C
InChIInChI=1S/C16H22O3/c1-11-7-8-14(9-12(11)2)19-15-6-4-3-5-13(15)10-16(17)18/h3-6,11-12,14H,7-10H2,1-2H3,(H,17,18)
InChIKeyQEIBCESCGQDEFV-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.52
Rot. Bonds4

About 2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid

2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid (PubChem CID 80742277) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid
PubChem CID80742277
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid
SMILESCC1CCC(Oc2ccccc2CC(=O)O)CC1C
InChIInChI=1S/C16H22O3/c1-11-7-8-14(9-12(11)2)19-15-6-4-3-5-13(15)10-16(17)18/h3-6,11-12,14H,7-10H2,1-2H3,(H,17,18)
InChIKeyQEIBCESCGQDEFV-UHFFFAOYSA-N
XLogP3.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene
CID 64765860
2-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64745909
1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64738951
1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene
CID 64765260
2-[2-(oxolan-3-yloxy)phenyl]acetic acid
CID 80741380
N-[[2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
CID 64738550
1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol
CID 64738983
2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide
CID 113333363
4-amino-3-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64740775
potassium [2-(3,4-dimethylcyclohexyl)oxyphenyl]-trifluoroboranuide
CID 64738388
2-[2-(4-oxoazetidin-2-yl)oxyphenyl]acetic acid
CID 121221707
methyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate
CID 107341742

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid?
The IUPAC name of 2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid (CID 80742277) is 2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid?
The canonical SMILES for 2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid is CC1CCC(Oc2ccccc2CC(=O)O)CC1C.
What is the InChIKey of 2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid?
The InChIKey is QEIBCESCGQDEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11-7-8-14(9-12(11)2)19-15-6-4-3-5-13(15)10-16(17)18/h3-6,11-12,14H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid?
2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid has a molecular weight of 262.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid is sourced from PubChem (CID 80742277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).