4-chloro-3-fluorobenzaldehyde;2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2,3-dihydroindol-5-yl]acetic acid;2-methylpropan-2-ol

About 4-chloro-3-fluorobenzaldehyde;2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2,3-dihydroindol-5-yl]acetic acid;2-methylpropan-2-ol

4-chloro-3-fluorobenzaldehyde;2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2,3-dihydroindol-5-yl]acetic acid;2-methylpropan-2-ol (PubChem CID 145450613) has the molecular formula C33H38ClF2NO5 and a molecular weight of 602.12 g/mol. Its IUPAC name is 4-chloro-3-fluorobenzaldehyde;2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2,3-dihydroindol-5-yl]acetic acid;2-methylpropan-2-ol.

Molecular Properties

Compound Name	4-chloro-3-fluorobenzaldehyde;2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2,3-dihydroindol-5-yl]acetic acid;2-methylpropan-2-ol
PubChem CID	145450613
Molecular Formula	C33H38ClF2NO5
Molecular Weight	602.12 g/mol
Exact Mass	601.24
IUPAC Name	4-chloro-3-fluorobenzaldehyde;2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2,3-dihydroindol-5-yl]acetic acid;2-methylpropan-2-ol
SMILES	CC(C)(C)O.Cc1cc2c(c(-c3cc(F)c4c(c3C)CCCO4)c1CC(=O)O)CCN2C.O=Cc1ccc(Cl)c(F)c1
InChI	InChI=1S/C22H24FNO3.C7H4ClFO.C4H10O/c1-12-9-19-15(6-7-24(19)3)21(16(12)11-20(25)26)17-10-18(23)22-14(13(17)2)5-4-8-27-22;8-6-2-1-5(4-10)3-7(6)9;1-4(2,3)5/h9-10H,4-8,11H2,1-3H3,(H,25,26);1-4H;5H,1-3H3
InChIKey	RFSBDOWARMLRTP-UHFFFAOYSA-N
XLogP	7.12
TPSA	87.07 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.12
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluorobenzaldehyde;2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2,3-dihydroindol-5-yl]acetic acid;2-methylpropan-2-ol?

The IUPAC name of 4-chloro-3-fluorobenzaldehyde;2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2,3-dihydroindol-5-yl]acetic acid;2-methylpropan-2-ol (CID 145450613) is 4-chloro-3-fluorobenzaldehyde;2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2,3-dihydroindol-5-yl]acetic acid;2-methylpropan-2-ol.

What is the SMILES notation for 4-chloro-3-fluorobenzaldehyde;2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2,3-dihydroindol-5-yl]acetic acid;2-methylpropan-2-ol?

The canonical SMILES for 4-chloro-3-fluorobenzaldehyde;2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2,3-dihydroindol-5-yl]acetic acid;2-methylpropan-2-ol is CC(C)(C)O.Cc1cc2c(c(-c3cc(F)c4c(c3C)CCCO4)c1CC(=O)O)CCN2C.O=Cc1ccc(Cl)c(F)c1.

What is the InChIKey of 4-chloro-3-fluorobenzaldehyde;2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2,3-dihydroindol-5-yl]acetic acid;2-methylpropan-2-ol?

The InChIKey is RFSBDOWARMLRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3.C7H4ClFO.C4H10O/c1-12-9-19-15(6-7-24(19)3)21(16(12)11-20(25)26)17-10-18(23)22-14(13(17)2)5-4-8-27-22;8-6-2-1-5(4-10)3-7(6)9;1-4(2,3)5/h9-10H,4-8,11H2,1-3H3,(H,25,26);1-4H;5H,1-3H3.

What are the key properties of 4-chloro-3-fluorobenzaldehyde;2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2,3-dihydroindol-5-yl]acetic acid;2-methylpropan-2-ol?

4-chloro-3-fluorobenzaldehyde;2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2,3-dihydroindol-5-yl]acetic acid;2-methylpropan-2-ol has a molecular weight of 602.12 g/mol, XLogP of 7.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-fluorobenzaldehyde;2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2,3-dihydroindol-5-yl]acetic acid;2-methylpropan-2-ol is sourced from PubChem (CID 145450613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).