1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid

C19H20O5 — CID 140974945

IUPAC1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCOc1cc(C2c3ccccc3CC2C(=O)O)cc(OC)c1OC
InChIInChI=1S/C19H20O5/c1-22-15-9-12(10-16(23-2)18(15)24-3)17-13-7-5-4-6-11(13)8-14(17)19(20)21/h4-7,9-10,14,17H,8H2,1-3H3,(H,20,21)
InChIKeyDQBBDDBENIHBNC-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.10
Rot. Bonds5

About 1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid

1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 140974945) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is 1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID140974945
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCOc1cc(C2c3ccccc3CC2C(=O)O)cc(OC)c1OC
InChIInChI=1S/C19H20O5/c1-22-15-9-12(10-16(23-2)18(15)24-3)17-13-7-5-4-6-11(13)8-14(17)19(20)21/h4-7,9-10,14,17H,8H2,1-3H3,(H,20,21)
InChIKeyDQBBDDBENIHBNC-UHFFFAOYSA-N
XLogP3.10
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 18427662
(2S,3R)-5-oxo-2-(3,4,5-trimethoxyphenyl)oxolane-3-carboxylic acid
CID 97034964
(2R,3S)-5-oxo-2-(3,4,5-trimethoxyphenyl)oxolane-3-carboxylic acid
CID 97034967
(1S,2S,3S,4R)-3-(aminomethyl)-4-hydroxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 18606764
8-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid
CID 14072855
1-(3,4,5-trimethoxyphenyl)-1,4,5,9b-tetrahydroazeto[2,1-a]isoquinolin-2-one
CID 177473444
(1R,2R)-1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-indene-2-carboxylic acid
CID 166274188
1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene
CID 91416064
2,3-dihydro-1H-indene-1,2-dicarboxylic acid
CID 21427203
(6S,7S,8S)-3-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 53359709
(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70327463
1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 18477073

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of 1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid (CID 140974945) is 1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for 1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for 1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid is COc1cc(C2c3ccccc3CC2C(=O)O)cc(OC)c1OC.
What is the InChIKey of 1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is DQBBDDBENIHBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-22-15-9-12(10-16(23-2)18(15)24-3)17-13-7-5-4-6-11(13)8-14(17)19(20)21/h4-7,9-10,14,17H,8H2,1-3H3,(H,20,21).
What are the key properties of 1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid?
1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 328.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 140974945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).