2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(2-methoxy-5-methylbenzoyl)-6-methyl-2,3-dihydroindol-5-yl]acetic acid

C30H30FNO5 — CID 134221670

About 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(2-methoxy-5-methylbenzoyl)-6-methyl-2,3-dihydroindol-5-yl]acetic acid

2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(2-methoxy-5-methylbenzoyl)-6-methyl-2,3-dihydroindol-5-yl]acetic acid (PubChem CID 134221670) has the molecular formula C30H30FNO5 and a molecular weight of 503.57 g/mol. Its IUPAC name is 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(2-methoxy-5-methylbenzoyl)-6-methyl-2,3-dihydroindol-5-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(2-methoxy-5-methylbenzoyl)-6-methyl-2,3-dihydroindol-5-yl]acetic acid
• PubChem CID: 134221670
• Molecular Formula: C30H30FNO5
• Molecular Weight: 503.57 g/mol
• Exact Mass: 503.21
• IUPAC Name: 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(2-methoxy-5-methylbenzoyl)-6-methyl-2,3-dihydroindol-5-yl]acetic acid
• SMILES: COc1ccc(C)cc1C(=O)N1CCc2c1cc(C)c(CC(=O)O)c2-c1cc(F)c2c(c1C)CCCO2
• InChI: InChI=1S/C30H30FNO5/c1-16-7-8-26(36-4)23(12-16)30(35)32-10-9-20-25(32)13-17(2)21(15-27(33)34)28(20)22-14-24(31)29-19(18(22)3)6-5-11-37-29/h7-8,12-14H,5-6,9-11,15H2,1-4H3,(H,33,34)
• InChIKey: DRZDXPPDXIQYRW-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 76.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.57
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(2-methoxy-5-methylbenzoyl)-6-methyl-2,3-dihydroindol-5-yl]acetic acid?

The IUPAC name of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(2-methoxy-5-methylbenzoyl)-6-methyl-2,3-dihydroindol-5-yl]acetic acid (CID 134221670) is 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(2-methoxy-5-methylbenzoyl)-6-methyl-2,3-dihydroindol-5-yl]acetic acid.

What is the SMILES notation for 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(2-methoxy-5-methylbenzoyl)-6-methyl-2,3-dihydroindol-5-yl]acetic acid?

The canonical SMILES for 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(2-methoxy-5-methylbenzoyl)-6-methyl-2,3-dihydroindol-5-yl]acetic acid is COc1ccc(C)cc1C(=O)N1CCc2c1cc(C)c(CC(=O)O)c2-c1cc(F)c2c(c1C)CCCO2.

What is the InChIKey of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(2-methoxy-5-methylbenzoyl)-6-methyl-2,3-dihydroindol-5-yl]acetic acid?

The InChIKey is DRZDXPPDXIQYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FNO5/c1-16-7-8-26(36-4)23(12-16)30(35)32-10-9-20-25(32)13-17(2)21(15-27(33)34)28(20)22-14-24(31)29-19(18(22)3)6-5-11-37-29/h7-8,12-14H,5-6,9-11,15H2,1-4H3,(H,33,34).

What are the key properties of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(2-methoxy-5-methylbenzoyl)-6-methyl-2,3-dihydroindol-5-yl]acetic acid?

2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(2-methoxy-5-methylbenzoyl)-6-methyl-2,3-dihydroindol-5-yl]acetic acid has a molecular weight of 503.57 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(2-methoxy-5-methylbenzoyl)-6-methyl-2,3-dihydroindol-5-yl]acetic acid is sourced from PubChem (CID 134221670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).