4-[(4,5-dimethyl-2-prop-1-en-2-ylphenyl)methyl]-2,3-dihydro-1H-indene

C21H24 — CID 164844403

IUPAC4-[(4,5-dimethyl-2-prop-1-en-2-ylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESC=C(C)c1cc(C)c(C)cc1Cc1cccc2c1CCC2
InChIInChI=1S/C21H24/c1-14(2)21-12-16(4)15(3)11-19(21)13-18-9-5-7-17-8-6-10-20(17)18/h5,7,9,11-12H,1,6,8,10,13H2,2-4H3
InChIKeyNYCRMFJRLMKQLA-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.42
Rot. Bonds3

About 4-[(4,5-dimethyl-2-prop-1-en-2-ylphenyl)methyl]-2,3-dihydro-1H-indene

4-[(4,5-dimethyl-2-prop-1-en-2-ylphenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 164844403) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-2-prop-1-en-2-ylphenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-[(4,5-dimethyl-2-prop-1-en-2-ylphenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID164844403
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Name4-[(4,5-dimethyl-2-prop-1-en-2-ylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESC=C(C)c1cc(C)c(C)cc1Cc1cccc2c1CCC2
InChIInChI=1S/C21H24/c1-14(2)21-12-16(4)15(3)11-19(21)13-18-9-5-7-17-8-6-10-20(17)18/h5,7,9,11-12H,1,6,8,10,13H2,2-4H3
InChIKeyNYCRMFJRLMKQLA-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-2-prop-1-en-2-ylphenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 4-[(4,5-dimethyl-2-prop-1-en-2-ylphenyl)methyl]-2,3-dihydro-1H-indene (CID 164844403) is 4-[(4,5-dimethyl-2-prop-1-en-2-ylphenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-[(4,5-dimethyl-2-prop-1-en-2-ylphenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 4-[(4,5-dimethyl-2-prop-1-en-2-ylphenyl)methyl]-2,3-dihydro-1H-indene is C=C(C)c1cc(C)c(C)cc1Cc1cccc2c1CCC2.
What is the InChIKey of 4-[(4,5-dimethyl-2-prop-1-en-2-ylphenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is NYCRMFJRLMKQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24/c1-14(2)21-12-16(4)15(3)11-19(21)13-18-9-5-7-17-8-6-10-20(17)18/h5,7,9,11-12H,1,6,8,10,13H2,2-4H3.
What are the key properties of 4-[(4,5-dimethyl-2-prop-1-en-2-ylphenyl)methyl]-2,3-dihydro-1H-indene?
4-[(4,5-dimethyl-2-prop-1-en-2-ylphenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 276.42 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-2-prop-1-en-2-ylphenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 164844403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).