1,4-dimethyl-5-(2-phenylethyl)-2,3-dihydro-1H-indene

C19H22 — CID 91026176

IUPAC1,4-dimethyl-5-(2-phenylethyl)-2,3-dihydro-1H-indene
SMILESCc1c(CCc2ccccc2)ccc2c1CCC2C
InChIInChI=1S/C19H22/c1-14-8-12-19-15(2)17(11-13-18(14)19)10-9-16-6-4-3-5-7-16/h3-7,11,13-14H,8-10,12H2,1-2H3
InChIKeyYKHRUMOPSHAEKY-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.83
Rot. Bonds3

About 1,4-dimethyl-5-(2-phenylethyl)-2,3-dihydro-1H-indene

1,4-dimethyl-5-(2-phenylethyl)-2,3-dihydro-1H-indene (PubChem CID 91026176) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1,4-dimethyl-5-(2-phenylethyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1,4-dimethyl-5-(2-phenylethyl)-2,3-dihydro-1H-indene
PubChem CID91026176
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name1,4-dimethyl-5-(2-phenylethyl)-2,3-dihydro-1H-indene
SMILESCc1c(CCc2ccccc2)ccc2c1CCC2C
InChIInChI=1S/C19H22/c1-14-8-12-19-15(2)17(11-13-18(14)19)10-9-16-6-4-3-5-7-16/h3-7,11,13-14H,8-10,12H2,1-2H3
InChIKeyYKHRUMOPSHAEKY-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-(2-phenylethyl)-2,3-dihydro-1H-indene?
The IUPAC name of 1,4-dimethyl-5-(2-phenylethyl)-2,3-dihydro-1H-indene (CID 91026176) is 1,4-dimethyl-5-(2-phenylethyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 1,4-dimethyl-5-(2-phenylethyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 1,4-dimethyl-5-(2-phenylethyl)-2,3-dihydro-1H-indene is Cc1c(CCc2ccccc2)ccc2c1CCC2C.
What is the InChIKey of 1,4-dimethyl-5-(2-phenylethyl)-2,3-dihydro-1H-indene?
The InChIKey is YKHRUMOPSHAEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-14-8-12-19-15(2)17(11-13-18(14)19)10-9-16-6-4-3-5-7-16/h3-7,11,13-14H,8-10,12H2,1-2H3.
What are the key properties of 1,4-dimethyl-5-(2-phenylethyl)-2,3-dihydro-1H-indene?
1,4-dimethyl-5-(2-phenylethyl)-2,3-dihydro-1H-indene has a molecular weight of 250.38 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-(2-phenylethyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 91026176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).