(2R)-2-(2-fluoroethoxy)-6-[4-(1-phenylpropyl)phenyl]-1-propan-2-yl-2,3-dihydro-1H-indene

C29H33FO — CID 170213843

IUPAC(2R)-2-(2-fluoroethoxy)-6-[4-(1-phenylpropyl)phenyl]-1-propan-2-yl-2,3-dihydro-1H-indene
SMILESCCC(c1ccccc1)c1ccc(-c2ccc3c(c2)C(C(C)C)[C@H](OCCF)C3)cc1
InChIInChI=1S/C29H33FO/c1-4-26(22-8-6-5-7-9-22)23-12-10-21(11-13-23)24-14-15-25-19-28(31-17-16-30)29(20(2)3)27(25)18-24/h5-15,18,20,26,28-29H,4,16-17,19H2,1-3H3/t26?,28-,29?/m1/s1
InChIKeyGFMWDUOTIYHTAZ-CGCOGMFASA-N
MW416.58 g/mol
LogP7.55
Rot. Bonds8

About (2R)-2-(2-fluoroethoxy)-6-[4-(1-phenylpropyl)phenyl]-1-propan-2-yl-2,3-dihydro-1H-indene

(2R)-2-(2-fluoroethoxy)-6-[4-(1-phenylpropyl)phenyl]-1-propan-2-yl-2,3-dihydro-1H-indene (PubChem CID 170213843) has the molecular formula C29H33FO and a molecular weight of 416.58 g/mol. Its IUPAC name is (2R)-2-(2-fluoroethoxy)-6-[4-(1-phenylpropyl)phenyl]-1-propan-2-yl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(2R)-2-(2-fluoroethoxy)-6-[4-(1-phenylpropyl)phenyl]-1-propan-2-yl-2,3-dihydro-1H-indene
PubChem CID170213843
Molecular FormulaC29H33FO
Molecular Weight416.58 g/mol
Exact Mass416.25
IUPAC Name(2R)-2-(2-fluoroethoxy)-6-[4-(1-phenylpropyl)phenyl]-1-propan-2-yl-2,3-dihydro-1H-indene
SMILESCCC(c1ccccc1)c1ccc(-c2ccc3c(c2)C(C(C)C)[C@H](OCCF)C3)cc1
InChIInChI=1S/C29H33FO/c1-4-26(22-8-6-5-7-9-22)23-12-10-21(11-13-23)24-14-15-25-19-28(31-17-16-30)29(20(2)3)27(25)18-24/h5-15,18,20,26,28-29H,4,16-17,19H2,1-3H3/t26?,28-,29?/m1/s1
InChIKeyGFMWDUOTIYHTAZ-CGCOGMFASA-N
XLogP7.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.58
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluoroethoxy)-6-[4-(1-phenylpropyl)phenyl]-1-propan-2-yl-2,3-dihydro-1H-indene?
The IUPAC name of (2R)-2-(2-fluoroethoxy)-6-[4-(1-phenylpropyl)phenyl]-1-propan-2-yl-2,3-dihydro-1H-indene (CID 170213843) is (2R)-2-(2-fluoroethoxy)-6-[4-(1-phenylpropyl)phenyl]-1-propan-2-yl-2,3-dihydro-1H-indene.
What is the SMILES notation for (2R)-2-(2-fluoroethoxy)-6-[4-(1-phenylpropyl)phenyl]-1-propan-2-yl-2,3-dihydro-1H-indene?
The canonical SMILES for (2R)-2-(2-fluoroethoxy)-6-[4-(1-phenylpropyl)phenyl]-1-propan-2-yl-2,3-dihydro-1H-indene is CCC(c1ccccc1)c1ccc(-c2ccc3c(c2)C(C(C)C)[C@H](OCCF)C3)cc1.
What is the InChIKey of (2R)-2-(2-fluoroethoxy)-6-[4-(1-phenylpropyl)phenyl]-1-propan-2-yl-2,3-dihydro-1H-indene?
The InChIKey is GFMWDUOTIYHTAZ-CGCOGMFASA-N. The full InChI is InChI=1S/C29H33FO/c1-4-26(22-8-6-5-7-9-22)23-12-10-21(11-13-23)24-14-15-25-19-28(31-17-16-30)29(20(2)3)27(25)18-24/h5-15,18,20,26,28-29H,4,16-17,19H2,1-3H3/t26?,28-,29?/m1/s1.
What are the key properties of (2R)-2-(2-fluoroethoxy)-6-[4-(1-phenylpropyl)phenyl]-1-propan-2-yl-2,3-dihydro-1H-indene?
(2R)-2-(2-fluoroethoxy)-6-[4-(1-phenylpropyl)phenyl]-1-propan-2-yl-2,3-dihydro-1H-indene has a molecular weight of 416.58 g/mol, XLogP of 7.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluoroethoxy)-6-[4-(1-phenylpropyl)phenyl]-1-propan-2-yl-2,3-dihydro-1H-indene is sourced from PubChem (CID 170213843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).