2-[(1R)-3-phenyl-1-phenylmethoxypropyl]-1-benzothiophene

C24H22OS — CID 134959418

IUPAC2-[(1R)-3-phenyl-1-phenylmethoxypropyl]-1-benzothiophene
SMILESc1ccc(CC[C@@H](OCc2ccccc2)c2cc3ccccc3s2)cc1
InChIInChI=1S/C24H22OS/c1-3-9-19(10-4-1)15-16-22(25-18-20-11-5-2-6-12-20)24-17-21-13-7-8-14-23(21)26-24/h1-14,17,22H,15-16,18H2/t22-/m1/s1
InChIKeyWBKKMGWAUSTGCR-JOCHJYFZSA-N
MW358.51 g/mol
LogP6.79
Rot. Bonds7

About 2-[(1R)-3-phenyl-1-phenylmethoxypropyl]-1-benzothiophene

2-[(1R)-3-phenyl-1-phenylmethoxypropyl]-1-benzothiophene (PubChem CID 134959418) has the molecular formula C24H22OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-[(1R)-3-phenyl-1-phenylmethoxypropyl]-1-benzothiophene.

Molecular Properties

Compound Name2-[(1R)-3-phenyl-1-phenylmethoxypropyl]-1-benzothiophene
PubChem CID134959418
Molecular FormulaC24H22OS
Molecular Weight358.51 g/mol
Exact Mass358.14
IUPAC Name2-[(1R)-3-phenyl-1-phenylmethoxypropyl]-1-benzothiophene
SMILESc1ccc(CC[C@@H](OCc2ccccc2)c2cc3ccccc3s2)cc1
InChIInChI=1S/C24H22OS/c1-3-9-19(10-4-1)15-16-22(25-18-20-11-5-2-6-12-20)24-17-21-13-7-8-14-23(21)26-24/h1-14,17,22H,15-16,18H2/t22-/m1/s1
InChIKeyWBKKMGWAUSTGCR-JOCHJYFZSA-N
XLogP6.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.51
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R,4R,5S,6R)-2-(3-(benzo[b]thiophen-2-ylmethyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 10452736
Pinacol 5-benzyloxymethylbenzo[b]thiophen-2-ylboronate
CID 23655485
2-(1-Benzothiophen-3-yl)-2,3-dihydropyran-6-one
CID 53483991
3-[4-(Methoxymethyl)phenyl]-2-thiophen-3-yl-1-benzothiophene
CID 44142408
Cyclohexanol, 1-benzo[b]thien-2-yl-
CID 398367
3-Phenoxy-2-phenyl-1-benzothiophene
CID 11150817
1-(1-Benzothiophen-2-yl)-5,6,7,8-tetrahydroisochromen-3-one
CID 171351422
Zileuton Impurity 5
CID 21678658
3-[(S)-(4-fluorophenyl)-methoxymethyl]-1-benzothiophene
CID 102267086
4-[2-(2,4-difluorophenyl)-1-benzothiophen-5-yl]-3,6-dihydro-2H-pyran
CID 122209222
4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyran
CID 101861459
5-Methoxymethylbenzo[b]thiophene
CID 13922907

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3-phenyl-1-phenylmethoxypropyl]-1-benzothiophene?
The IUPAC name of 2-[(1R)-3-phenyl-1-phenylmethoxypropyl]-1-benzothiophene (CID 134959418) is 2-[(1R)-3-phenyl-1-phenylmethoxypropyl]-1-benzothiophene.
What is the SMILES notation for 2-[(1R)-3-phenyl-1-phenylmethoxypropyl]-1-benzothiophene?
The canonical SMILES for 2-[(1R)-3-phenyl-1-phenylmethoxypropyl]-1-benzothiophene is c1ccc(CC[C@@H](OCc2ccccc2)c2cc3ccccc3s2)cc1.
What is the InChIKey of 2-[(1R)-3-phenyl-1-phenylmethoxypropyl]-1-benzothiophene?
The InChIKey is WBKKMGWAUSTGCR-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H22OS/c1-3-9-19(10-4-1)15-16-22(25-18-20-11-5-2-6-12-20)24-17-21-13-7-8-14-23(21)26-24/h1-14,17,22H,15-16,18H2/t22-/m1/s1.
What are the key properties of 2-[(1R)-3-phenyl-1-phenylmethoxypropyl]-1-benzothiophene?
2-[(1R)-3-phenyl-1-phenylmethoxypropyl]-1-benzothiophene has a molecular weight of 358.51 g/mol, XLogP of 6.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3-phenyl-1-phenylmethoxypropyl]-1-benzothiophene is sourced from PubChem (CID 134959418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).