2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid

C14H17NO4 — CID 82501280

IUPAC2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid
SMILESCOc1ccc(OC)c2c1c(CC(=O)O)c(C)n2C
InChIInChI=1S/C14H17NO4/c1-8-9(7-12(16)17)13-10(18-3)5-6-11(19-4)14(13)15(8)2/h5-6H,7H2,1-4H3,(H,16,17)
InChIKeyMSXAHAZTHPNZHY-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.13
Rot. Bonds4

About 2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid

2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid (PubChem CID 82501280) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid
PubChem CID82501280
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid
SMILESCOc1ccc(OC)c2c1c(CC(=O)O)c(C)n2C
InChIInChI=1S/C14H17NO4/c1-8-9(7-12(16)17)13-10(18-3)5-6-11(19-4)14(13)15(8)2/h5-6H,7H2,1-4H3,(H,16,17)
InChIKeyMSXAHAZTHPNZHY-UHFFFAOYSA-N
XLogP2.13
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone
CID 82498460
1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)-2-methylpropan-1-one
CID 142666969
4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one
CID 98035172
2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid
CID 83859941
2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]acetic acid
CID 117353050
1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone
CID 82495458
2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid
CID 54561553
2-amino-3-(2-bromo-7-methoxy-1,4-dimethylindol-3-yl)propanoic acid
CID 84646705
2-(2-bromo-3,6-dimethoxyphenyl)acetic acid
CID 84810613
4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid
CID 82500843
1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one
CID 82500836
2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid
CID 82497008

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid?
The IUPAC name of 2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid (CID 82501280) is 2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid.
What is the SMILES notation for 2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid?
The canonical SMILES for 2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid is COc1ccc(OC)c2c1c(CC(=O)O)c(C)n2C.
What is the InChIKey of 2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid?
The InChIKey is MSXAHAZTHPNZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-8-9(7-12(16)17)13-10(18-3)5-6-11(19-4)14(13)15(8)2/h5-6H,7H2,1-4H3,(H,16,17).
What are the key properties of 2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid?
2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid has a molecular weight of 263.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid is sourced from PubChem (CID 82501280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).