2-(2,3-dipropylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene

C23H32 — CID 21095461

IUPAC2-(2,3-dipropylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCCCc1cccc(C2CC3C=CC=CC3C2CC)c1CCC
InChIInChI=1S/C23H32/c1-4-10-17-13-9-15-22(20(17)11-5-2)23-16-18-12-7-8-14-21(18)19(23)6-3/h7-9,12-15,18-19,21,23H,4-6,10-11,16H2,1-3H3
InChIKeyWXMCTXIVOQCDRI-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.46
Rot. Bonds6

About 2-(2,3-dipropylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene

2-(2,3-dipropylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 21095461) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is 2-(2,3-dipropylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name2-(2,3-dipropylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID21095461
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name2-(2,3-dipropylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCCCc1cccc(C2CC3C=CC=CC3C2CC)c1CCC
InChIInChI=1S/C23H32/c1-4-10-17-13-9-15-22(20(17)11-5-2)23-16-18-12-7-8-14-21(18)19(23)6-3/h7-9,12-15,18-19,21,23H,4-6,10-11,16H2,1-3H3
InChIKeyWXMCTXIVOQCDRI-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,3-dipropylphenyl)-1-propyl-2,3,3a,7a-tetrahydro-1H-indene
CID 21095740
2-(2,3-dimethylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 21095459
1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene
CID 21095473
2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene
CID 21095760
1-cyclohexa-2,4-dien-1-yl-2-propylbenzene
CID 156826957
CID 160937062
CID 160937062
CID 160803924
CID 160803924
1-benzyl-2,3-dipropylbenzene
CID 22920914
1,8-bis(2,3,3a,7a-tetrahydro-1H-inden-2-yl)naphthalene
CID 140819186
N-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline
CID 43687449
(2,3-dipropylphenyl)-phenylphosphane
CID 151365985
1,3-dioctyl-2-propylbenzene
CID 90707443

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dipropylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of 2-(2,3-dipropylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene (CID 21095461) is 2-(2,3-dipropylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for 2-(2,3-dipropylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for 2-(2,3-dipropylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene is CCCc1cccc(C2CC3C=CC=CC3C2CC)c1CCC.
What is the InChIKey of 2-(2,3-dipropylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is WXMCTXIVOQCDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32/c1-4-10-17-13-9-15-22(20(17)11-5-2)23-16-18-12-7-8-14-21(18)19(23)6-3/h7-9,12-15,18-19,21,23H,4-6,10-11,16H2,1-3H3.
What are the key properties of 2-(2,3-dipropylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene?
2-(2,3-dipropylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 308.51 g/mol, XLogP of 6.46, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dipropylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 21095461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).