ethane;5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1H-indene

C24H35FO — CID 143505651

IUPACethane;5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1H-indene
SMILESCC.CC.COc1cc(F)c(C(C)C)cc1-c1ccc2c(c1C)CCC2
InChIInChI=1S/C20H23FO.2C2H6/c1-12(2)17-10-18(20(22-4)11-19(17)21)16-9-8-14-6-5-7-15(14)13(16)3;2*1-2/h8-12H,5-7H2,1-4H3;2*1-2H3
InChIKeyUKVPFHRGTMAOLJ-UHFFFAOYSA-N
MW358.54 g/mol
LogP7.47
Rot. Bonds3

About ethane;5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1H-indene

ethane;5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1H-indene (PubChem CID 143505651) has the molecular formula C24H35FO and a molecular weight of 358.54 g/mol. Its IUPAC name is ethane;5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Nameethane;5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1H-indene
PubChem CID143505651
Molecular FormulaC24H35FO
Molecular Weight358.54 g/mol
Exact Mass358.27
IUPAC Nameethane;5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1H-indene
SMILESCC.CC.COc1cc(F)c(C(C)C)cc1-c1ccc2c(c1C)CCC2
InChIInChI=1S/C20H23FO.2C2H6/c1-12(2)17-10-18(20(22-4)11-19(17)21)16-9-8-14-6-5-7-15(14)13(16)3;2*1-2/h8-12H,5-7H2,1-4H3;2*1-2H3
InChIKeyUKVPFHRGTMAOLJ-UHFFFAOYSA-N
XLogP7.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.54
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1H-indene?
The IUPAC name of ethane;5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1H-indene (CID 143505651) is ethane;5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for ethane;5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for ethane;5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1H-indene is CC.CC.COc1cc(F)c(C(C)C)cc1-c1ccc2c(c1C)CCC2.
What is the InChIKey of ethane;5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1H-indene?
The InChIKey is UKVPFHRGTMAOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FO.2C2H6/c1-12(2)17-10-18(20(22-4)11-19(17)21)16-9-8-14-6-5-7-15(14)13(16)3;2*1-2/h8-12H,5-7H2,1-4H3;2*1-2H3.
What are the key properties of ethane;5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1H-indene?
ethane;5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1H-indene has a molecular weight of 358.54 g/mol, XLogP of 7.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 143505651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).