2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene

C18H22 — CID 21095760

IUPAC2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCCCC1C(c2ccccc2)CC2C=CC=CC21
InChIInChI=1S/C18H22/c1-2-8-17-16-12-7-6-11-15(16)13-18(17)14-9-4-3-5-10-14/h3-7,9-12,15-18H,2,8,13H2,1H3
InChIKeyRHBFRFXMJLZQAT-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.95
Rot. Bonds3

About 2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene

2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 21095760) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID21095760
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCCCC1C(c2ccccc2)CC2C=CC=CC21
InChIInChI=1S/C18H22/c1-2-8-17-16-12-7-6-11-15(16)13-18(17)14-9-4-3-5-10-14/h3-7,9-12,15-18H,2,8,13H2,1H3
InChIKeyRHBFRFXMJLZQAT-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene
CID 21095473
2-(2,3-dipropylphenyl)-1-propyl-2,3,3a,7a-tetrahydro-1H-indene
CID 21095740
(1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane
CID 11776555
dimethyl-(2-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
CID 58634122
2-(2,3-dimethylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 21095459
(2-methylcyclopentyl)benzene
CID 12600454
[(1R,2R)-2-butoxycyclopropyl]benzene
CID 13263839
[(1R,2S)-2-butoxycyclopropyl]benzene
CID 13263840
2-phenyl-N,N-dipropylcyclopropan-1-amine;hydrochloride
CID 45264199
[(2S)-2-butoxycyclopropyl]benzene
CID 90226086
[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
(2-ethylsulfanylcyclopropyl)benzene
CID 123588085

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of 2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene (CID 21095760) is 2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for 2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for 2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene is CCCC1C(c2ccccc2)CC2C=CC=CC21.
What is the InChIKey of 2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is RHBFRFXMJLZQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-2-8-17-16-12-7-6-11-15(16)13-18(17)14-9-4-3-5-10-14/h3-7,9-12,15-18H,2,8,13H2,1H3.
What are the key properties of 2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene?
2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 238.37 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 21095760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).