5-methoxy-2-[(2-methoxyphenyl)methyl]-5-methylhexanoic acid

C16H24O4 — CID 103034779

IUPAC5-methoxy-2-[(2-methoxyphenyl)methyl]-5-methylhexanoic acid
SMILESCOc1ccccc1CC(CCC(C)(C)OC)C(=O)O
InChIInChI=1S/C16H24O4/c1-16(2,20-4)10-9-13(15(17)18)11-12-7-5-6-8-14(12)19-3/h5-8,13H,9-11H2,1-4H3,(H,17,18)
InChIKeyUMQNVKXXNNACBG-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.14
Rot. Bonds8

About 5-methoxy-2-[(2-methoxyphenyl)methyl]-5-methylhexanoic acid

5-methoxy-2-[(2-methoxyphenyl)methyl]-5-methylhexanoic acid (PubChem CID 103034779) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 5-methoxy-2-[(2-methoxyphenyl)methyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(2-methoxyphenyl)methyl]-5-methylhexanoic acid
PubChem CID103034779
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name5-methoxy-2-[(2-methoxyphenyl)methyl]-5-methylhexanoic acid
SMILESCOc1ccccc1CC(CCC(C)(C)OC)C(=O)O
InChIInChI=1S/C16H24O4/c1-16(2,20-4)10-9-13(15(17)18)11-12-7-5-6-8-14(12)19-3/h5-8,13H,9-11H2,1-4H3,(H,17,18)
InChIKeyUMQNVKXXNNACBG-UHFFFAOYSA-N
XLogP3.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-[(2-methoxyphenyl)methyl]butanoic acid
CID 79419076
2-[(2-methoxyphenyl)methyl]-4-phenylbutanoic acid
CID 79422266
4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid
CID 114495157
2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60794367
2-[(4-methoxypentanoylamino)methyl]-3-(2-methoxyphenyl)propanoic acid
CID 120533146
4-hydroxy-2-[(2-methoxyphenyl)methyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexanoic acid
CID 21221103
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
4-amino-2-[(2-fluoro-3-methoxyphenyl)methyl]butanoic acid
CID 104795873
2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide
CID 62096110
(2S)-2-[(2-methoxyphenyl)methylamino]-5,5-dimethylhexanoic acid
CID 167496485
2-[(2-methoxyphenyl)methyl]-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120533112
4-(4-chloroanilino)-2-[(2-methoxyphenyl)methyl]-4-oxobutanoic acid
CID 23819736

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2-methoxyphenyl)methyl]-5-methylhexanoic acid?
The IUPAC name of 5-methoxy-2-[(2-methoxyphenyl)methyl]-5-methylhexanoic acid (CID 103034779) is 5-methoxy-2-[(2-methoxyphenyl)methyl]-5-methylhexanoic acid.
What is the SMILES notation for 5-methoxy-2-[(2-methoxyphenyl)methyl]-5-methylhexanoic acid?
The canonical SMILES for 5-methoxy-2-[(2-methoxyphenyl)methyl]-5-methylhexanoic acid is COc1ccccc1CC(CCC(C)(C)OC)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(2-methoxyphenyl)methyl]-5-methylhexanoic acid?
The InChIKey is UMQNVKXXNNACBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-16(2,20-4)10-9-13(15(17)18)11-12-7-5-6-8-14(12)19-3/h5-8,13H,9-11H2,1-4H3,(H,17,18).
What are the key properties of 5-methoxy-2-[(2-methoxyphenyl)methyl]-5-methylhexanoic acid?
5-methoxy-2-[(2-methoxyphenyl)methyl]-5-methylhexanoic acid has a molecular weight of 280.36 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(2-methoxyphenyl)methyl]-5-methylhexanoic acid is sourced from PubChem (CID 103034779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).