2-[4-(2-cyclohexylethyl)-2,6-di(propan-2-yl)phenyl]acetic acid

C22H34O2 — CID 146570919

IUPAC2-[4-(2-cyclohexylethyl)-2,6-di(propan-2-yl)phenyl]acetic acid
SMILESCC(C)c1cc(CCC2CCCCC2)cc(C(C)C)c1CC(=O)O
InChIInChI=1S/C22H34O2/c1-15(2)19-12-18(11-10-17-8-6-5-7-9-17)13-20(16(3)4)21(19)14-22(23)24/h12-13,15-17H,5-11,14H2,1-4H3,(H,23,24)
InChIKeyUWOBGAQQYVCLAC-UHFFFAOYSA-N
MW330.51 g/mol
LogP6.07
Rot. Bonds7

About 2-[4-(2-cyclohexylethyl)-2,6-di(propan-2-yl)phenyl]acetic acid

2-[4-(2-cyclohexylethyl)-2,6-di(propan-2-yl)phenyl]acetic acid (PubChem CID 146570919) has the molecular formula C22H34O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is 2-[4-(2-cyclohexylethyl)-2,6-di(propan-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-cyclohexylethyl)-2,6-di(propan-2-yl)phenyl]acetic acid
PubChem CID146570919
Molecular FormulaC22H34O2
Molecular Weight330.51 g/mol
Exact Mass330.26
IUPAC Name2-[4-(2-cyclohexylethyl)-2,6-di(propan-2-yl)phenyl]acetic acid
SMILESCC(C)c1cc(CCC2CCCCC2)cc(C(C)C)c1CC(=O)O
InChIInChI=1S/C22H34O2/c1-15(2)19-12-18(11-10-17-8-6-5-7-9-17)13-20(16(3)4)21(19)14-22(23)24/h12-13,15-17H,5-11,14H2,1-4H3,(H,23,24)
InChIKeyUWOBGAQQYVCLAC-UHFFFAOYSA-N
XLogP6.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.51
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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methyl 4-(2-cyclohexylethyl)benzoate
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CID 137443462

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclohexylethyl)-2,6-di(propan-2-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(2-cyclohexylethyl)-2,6-di(propan-2-yl)phenyl]acetic acid (CID 146570919) is 2-[4-(2-cyclohexylethyl)-2,6-di(propan-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(2-cyclohexylethyl)-2,6-di(propan-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(2-cyclohexylethyl)-2,6-di(propan-2-yl)phenyl]acetic acid is CC(C)c1cc(CCC2CCCCC2)cc(C(C)C)c1CC(=O)O.
What is the InChIKey of 2-[4-(2-cyclohexylethyl)-2,6-di(propan-2-yl)phenyl]acetic acid?
The InChIKey is UWOBGAQQYVCLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O2/c1-15(2)19-12-18(11-10-17-8-6-5-7-9-17)13-20(16(3)4)21(19)14-22(23)24/h12-13,15-17H,5-11,14H2,1-4H3,(H,23,24).
What are the key properties of 2-[4-(2-cyclohexylethyl)-2,6-di(propan-2-yl)phenyl]acetic acid?
2-[4-(2-cyclohexylethyl)-2,6-di(propan-2-yl)phenyl]acetic acid has a molecular weight of 330.51 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclohexylethyl)-2,6-di(propan-2-yl)phenyl]acetic acid is sourced from PubChem (CID 146570919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).