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

C26H26O6 — CID 18427662

IUPAC1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCOc1ccc(C2c3ccccc3C(c3cc(OC)c(OC)c(OC)c3)C2C(=O)O)cc1
InChIInChI=1S/C26H26O6/c1-29-17-11-9-15(10-12-17)22-18-7-5-6-8-19(18)23(24(22)26(27)28)16-13-20(30-2)25(32-4)21(14-16)31-3/h5-14,22-24H,1-4H3,(H,27,28)
InChIKeySOCMENURTDNKQP-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.70
Rot. Bonds7

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

1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 18427662) has the molecular formula C26H26O6 and a molecular weight of 434.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID18427662
Molecular FormulaC26H26O6
Molecular Weight434.49 g/mol
Exact Mass434.17
IUPAC Name1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCOc1ccc(C2c3ccccc3C(c3cc(OC)c(OC)c(OC)c3)C2C(=O)O)cc1
InChIInChI=1S/C26H26O6/c1-29-17-11-9-15(10-12-17)22-18-7-5-6-8-19(18)23(24(22)26(27)28)16-13-20(30-2)25(32-4)21(14-16)31-3/h5-14,22-24H,1-4H3,(H,27,28)
InChIKeySOCMENURTDNKQP-UHFFFAOYSA-N
XLogP4.70
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2S,3S,4R)-3-(aminomethyl)-4-hydroxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 18606764
1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 140974945
(1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70130242
[(1R,2R,3R)-1-(benzenesulfonyl)-3-phenyl-2,3-dihydro-1H-inden-2-yl]-(4-methoxyphenyl)methanone
CID 101447787
(2R)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70129776
5-hydroxy-1-(1H-indol-5-yl)-3-(4-methoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 18703922
4-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one
CID 10318227
3-(1,3-benzodioxol-5-yl)-4-benzyl-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70232116
(5R,6S,7S,8R)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid
CID 25022072
8-methoxy-4-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 10268281
(4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolane
CID 10809404
(3S,4R)-2-methyl-1-oxo-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid
CID 10833023

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid (CID 18427662) is 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid is COc1ccc(C2c3ccccc3C(c3cc(OC)c(OC)c(OC)c3)C2C(=O)O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is SOCMENURTDNKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O6/c1-29-17-11-9-15(10-12-17)22-18-7-5-6-8-19(18)23(24(22)26(27)28)16-13-20(30-2)25(32-4)21(14-16)31-3/h5-14,22-24H,1-4H3,(H,27,28).
What are the key properties of 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid?
1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 434.49 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 18427662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).