2-phenyl-1-(2-prop-2-enoxypropan-2-yl)-1H-indene

C21H22O — CID 75236768

IUPAC2-phenyl-1-(2-prop-2-enoxypropan-2-yl)-1H-indene
SMILESC=CCOC(C)(C)C1C(c2ccccc2)=Cc2ccccc21
InChIInChI=1S/C21H22O/c1-4-14-22-21(2,3)20-18-13-9-8-12-17(18)15-19(20)16-10-6-5-7-11-16/h4-13,15,20H,1,14H2,2-3H3
InChIKeySQZMVMKGEDVLTQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.31
Rot. Bonds5

About 2-phenyl-1-(2-prop-2-enoxypropan-2-yl)-1H-indene

2-phenyl-1-(2-prop-2-enoxypropan-2-yl)-1H-indene (PubChem CID 75236768) has the molecular formula C21H22O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-phenyl-1-(2-prop-2-enoxypropan-2-yl)-1H-indene.

Molecular Properties

Compound Name2-phenyl-1-(2-prop-2-enoxypropan-2-yl)-1H-indene
PubChem CID75236768
Molecular FormulaC21H22O
Molecular Weight290.41 g/mol
Exact Mass290.17
IUPAC Name2-phenyl-1-(2-prop-2-enoxypropan-2-yl)-1H-indene
SMILESC=CCOC(C)(C)C1C(c2ccccc2)=Cc2ccccc21
InChIInChI=1S/C21H22O/c1-4-14-22-21(2,3)20-18-13-9-8-12-17(18)15-19(20)16-10-6-5-7-11-16/h4-13,15,20H,1,14H2,2-3H3
InChIKeySQZMVMKGEDVLTQ-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-phenyl-1-prop-1-en-2-yl-1H-indene
CID 134964363
2-methyl-N-[2-[2-(2-phenyl-1H-inden-1-yl)phenyl]propan-2-yl]propan-2-amine
CID 23014756
trimethyl-(2-phenyl-1H-inden-1-yl)silane
CID 91802110
1-decyl-2-phenyl-1H-indene
CID 91542453
bis(1-cyclopenta-1,3-dien-1-yl-2-phenyl-1H-indene);zirconium(2+)
CID 172693912
1-heptyl-2-phenyl-1H-indene
CID 91113646
[(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966369
[(2R)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966368
1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene
CID 54456001
1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone
CID 139946466
bis([2-(2-phenyl-1H-inden-1-yl)phenyl]methanol);titanium;dichloride
CID 23015547
2-(2-methylpropyl)-3-phenyl-1-prop-2-enyl-1H-isoquinoline
CID 102252883

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(2-prop-2-enoxypropan-2-yl)-1H-indene?
The IUPAC name of 2-phenyl-1-(2-prop-2-enoxypropan-2-yl)-1H-indene (CID 75236768) is 2-phenyl-1-(2-prop-2-enoxypropan-2-yl)-1H-indene.
What is the SMILES notation for 2-phenyl-1-(2-prop-2-enoxypropan-2-yl)-1H-indene?
The canonical SMILES for 2-phenyl-1-(2-prop-2-enoxypropan-2-yl)-1H-indene is C=CCOC(C)(C)C1C(c2ccccc2)=Cc2ccccc21.
What is the InChIKey of 2-phenyl-1-(2-prop-2-enoxypropan-2-yl)-1H-indene?
The InChIKey is SQZMVMKGEDVLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O/c1-4-14-22-21(2,3)20-18-13-9-8-12-17(18)15-19(20)16-10-6-5-7-11-16/h4-13,15,20H,1,14H2,2-3H3.
What are the key properties of 2-phenyl-1-(2-prop-2-enoxypropan-2-yl)-1H-indene?
2-phenyl-1-(2-prop-2-enoxypropan-2-yl)-1H-indene has a molecular weight of 290.41 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(2-prop-2-enoxypropan-2-yl)-1H-indene is sourced from PubChem (CID 75236768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).