6-(2,4-dimethyl-4-phenylpentan-2-yl)oxynaphthalene-2-carboxylic acid

C24H26O3 — CID 163647200

IUPAC6-(2,4-dimethyl-4-phenylpentan-2-yl)oxynaphthalene-2-carboxylic acid
SMILESCC(C)(CC(C)(C)c1ccccc1)Oc1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C24H26O3/c1-23(2,20-8-6-5-7-9-20)16-24(3,4)27-21-13-12-17-14-19(22(25)26)11-10-18(17)15-21/h5-15H,16H2,1-4H3,(H,25,26)
InChIKeyIJFUKPSYTFSSOB-UHFFFAOYSA-N
MW362.47 g/mol
LogP6.06
Rot. Bonds6

About 6-(2,4-dimethyl-4-phenylpentan-2-yl)oxynaphthalene-2-carboxylic acid

6-(2,4-dimethyl-4-phenylpentan-2-yl)oxynaphthalene-2-carboxylic acid (PubChem CID 163647200) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 6-(2,4-dimethyl-4-phenylpentan-2-yl)oxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,4-dimethyl-4-phenylpentan-2-yl)oxynaphthalene-2-carboxylic acid
PubChem CID163647200
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name6-(2,4-dimethyl-4-phenylpentan-2-yl)oxynaphthalene-2-carboxylic acid
SMILESCC(C)(CC(C)(C)c1ccccc1)Oc1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C24H26O3/c1-23(2,20-8-6-5-7-9-20)16-24(3,4)27-21-13-12-17-14-19(22(25)26)11-10-18(17)15-21/h5-15H,16H2,1-4H3,(H,25,26)
InChIKeyIJFUKPSYTFSSOB-UHFFFAOYSA-N
XLogP6.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-2-phenylpropyl)tin(3+);tris(naphthalene-2-carboxylate)
CID 175018825
4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid
CID 143021723
naphthalene-2-carboxylic acid
CID 175967775
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
[6-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)naphthalen-2-yl] benzoate
CID 54401385
hexacene-2-carboxylic acid
CID 87430666
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalene-2-carboxylic acid
CID 23021695
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethyl-4-phenylpentan-2-yl)oxynaphthalene-2-carboxylic acid?
The IUPAC name of 6-(2,4-dimethyl-4-phenylpentan-2-yl)oxynaphthalene-2-carboxylic acid (CID 163647200) is 6-(2,4-dimethyl-4-phenylpentan-2-yl)oxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-(2,4-dimethyl-4-phenylpentan-2-yl)oxynaphthalene-2-carboxylic acid?
The canonical SMILES for 6-(2,4-dimethyl-4-phenylpentan-2-yl)oxynaphthalene-2-carboxylic acid is CC(C)(CC(C)(C)c1ccccc1)Oc1ccc2cc(C(=O)O)ccc2c1.
What is the InChIKey of 6-(2,4-dimethyl-4-phenylpentan-2-yl)oxynaphthalene-2-carboxylic acid?
The InChIKey is IJFUKPSYTFSSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c1-23(2,20-8-6-5-7-9-20)16-24(3,4)27-21-13-12-17-14-19(22(25)26)11-10-18(17)15-21/h5-15H,16H2,1-4H3,(H,25,26).
What are the key properties of 6-(2,4-dimethyl-4-phenylpentan-2-yl)oxynaphthalene-2-carboxylic acid?
6-(2,4-dimethyl-4-phenylpentan-2-yl)oxynaphthalene-2-carboxylic acid has a molecular weight of 362.47 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethyl-4-phenylpentan-2-yl)oxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 163647200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).