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

C14H18O4 — CID 82159660

IUPAC2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid
SMILESCOc1ccc(OC)c2c1CCC2(C)CC(=O)O
InChIInChI=1S/C14H18O4/c1-14(8-12(15)16)7-6-9-10(17-2)4-5-11(18-3)13(9)14/h4-5H,6-8H2,1-3H3,(H,15,16)
InChIKeyAXCKWACHAYLTJC-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.38
Rot. Bonds4

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

2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid (PubChem CID 82159660) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid
PubChem CID82159660
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid
SMILESCOc1ccc(OC)c2c1CCC2(C)CC(=O)O
InChIInChI=1S/C14H18O4/c1-14(8-12(15)16)7-6-9-10(17-2)4-5-11(18-3)13(9)14/h4-5H,6-8H2,1-3H3,(H,15,16)
InChIKeyAXCKWACHAYLTJC-UHFFFAOYSA-N
XLogP2.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117379119
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117446172
ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 125113228
2-(1,5,7-trimethyl-2,3-dihydroinden-1-yl)acetic acid
CID 82158629
5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 21350616
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde
CID 135060366
1-[(2S)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl]ethanone
CID 96588279
2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid
CID 117410634
1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 18518702
methyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 11161407

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid?
The IUPAC name of 2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid (CID 82159660) is 2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid.
What is the SMILES notation for 2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid?
The canonical SMILES for 2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid is COc1ccc(OC)c2c1CCC2(C)CC(=O)O.
What is the InChIKey of 2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid?
The InChIKey is AXCKWACHAYLTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-14(8-12(15)16)7-6-9-10(17-2)4-5-11(18-3)13(9)14/h4-5H,6-8H2,1-3H3,(H,15,16).
What are the key properties of 2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid?
2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid has a molecular weight of 250.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid is sourced from PubChem (CID 82159660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).