4-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-2,3-dihydrobenzo[g][1]benzofuran

C22H20O — CID 166443823

IUPAC4-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-2,3-dihydrobenzo[g][1]benzofuran
SMILESCc1ccc([C@H]2C[C@H]2c2cc3ccccc3c3c2CCO3)cc1
InChIInChI=1S/C22H20O/c1-14-6-8-15(9-7-14)19-13-21(19)20-12-16-4-2-3-5-17(16)22-18(20)10-11-23-22/h2-9,12,19,21H,10-11,13H2,1H3/t19-,21-/m1/s1
InChIKeyKWAKQMISCVIAPD-TZIWHRDSSA-N
MW300.40 g/mol
LogP5.35
Rot. Bonds2

About 4-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-2,3-dihydrobenzo[g][1]benzofuran

4-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-2,3-dihydrobenzo[g][1]benzofuran (PubChem CID 166443823) has the molecular formula C22H20O and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-2,3-dihydrobenzo[g][1]benzofuran.

Molecular Properties

Compound Name4-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-2,3-dihydrobenzo[g][1]benzofuran
PubChem CID166443823
Molecular FormulaC22H20O
Molecular Weight300.40 g/mol
Exact Mass300.15
IUPAC Name4-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-2,3-dihydrobenzo[g][1]benzofuran
SMILESCc1ccc([C@H]2C[C@H]2c2cc3ccccc3c3c2CCO3)cc1
InChIInChI=1S/C22H20O/c1-14-6-8-15(9-7-14)19-13-21(19)20-12-16-4-2-3-5-17(16)22-18(20)10-11-23-22/h2-9,12,19,21H,10-11,13H2,1H3/t19-,21-/m1/s1
InChIKeyKWAKQMISCVIAPD-TZIWHRDSSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-2,3-dihydrobenzo[g][1]benzofuran?
The IUPAC name of 4-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-2,3-dihydrobenzo[g][1]benzofuran (CID 166443823) is 4-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-2,3-dihydrobenzo[g][1]benzofuran.
What is the SMILES notation for 4-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-2,3-dihydrobenzo[g][1]benzofuran?
The canonical SMILES for 4-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-2,3-dihydrobenzo[g][1]benzofuran is Cc1ccc([C@H]2C[C@H]2c2cc3ccccc3c3c2CCO3)cc1.
What is the InChIKey of 4-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-2,3-dihydrobenzo[g][1]benzofuran?
The InChIKey is KWAKQMISCVIAPD-TZIWHRDSSA-N. The full InChI is InChI=1S/C22H20O/c1-14-6-8-15(9-7-14)19-13-21(19)20-12-16-4-2-3-5-17(16)22-18(20)10-11-23-22/h2-9,12,19,21H,10-11,13H2,1H3/t19-,21-/m1/s1.
What are the key properties of 4-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-2,3-dihydrobenzo[g][1]benzofuran?
4-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-2,3-dihydrobenzo[g][1]benzofuran has a molecular weight of 300.40 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-2,3-dihydrobenzo[g][1]benzofuran is sourced from PubChem (CID 166443823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).