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

C24H34 — CID 21095740

IUPAC2-(2,3-dipropylphenyl)-1-propyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCCCc1cccc(C2CC3C=CC=CC3C2CCC)c1CCC
InChIInChI=1S/C24H34/c1-4-10-18-14-9-16-23(20(18)11-5-2)24-17-19-13-7-8-15-21(19)22(24)12-6-3/h7-9,13-16,19,21-22,24H,4-6,10-12,17H2,1-3H3
InChIKeyRCNVPBCABJTLGZ-UHFFFAOYSA-N
MW322.54 g/mol
LogP6.85
Rot. Bonds7

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

2-(2,3-dipropylphenyl)-1-propyl-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 21095740) has the molecular formula C24H34 and a molecular weight of 322.54 g/mol. Its IUPAC name is 2-(2,3-dipropylphenyl)-1-propyl-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name2-(2,3-dipropylphenyl)-1-propyl-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID21095740
Molecular FormulaC24H34
Molecular Weight322.54 g/mol
Exact Mass322.27
IUPAC Name2-(2,3-dipropylphenyl)-1-propyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCCCc1cccc(C2CC3C=CC=CC3C2CCC)c1CCC
InChIInChI=1S/C24H34/c1-4-10-18-14-9-16-23(20(18)11-5-2)24-17-19-13-7-8-15-21(19)22(24)12-6-3/h7-9,13-16,19,21-22,24H,4-6,10-12,17H2,1-3H3
InChIKeyRCNVPBCABJTLGZ-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dipropylphenyl)-1-propyl-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of 2-(2,3-dipropylphenyl)-1-propyl-2,3,3a,7a-tetrahydro-1H-indene (CID 21095740) is 2-(2,3-dipropylphenyl)-1-propyl-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for 2-(2,3-dipropylphenyl)-1-propyl-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for 2-(2,3-dipropylphenyl)-1-propyl-2,3,3a,7a-tetrahydro-1H-indene is CCCc1cccc(C2CC3C=CC=CC3C2CCC)c1CCC.
What is the InChIKey of 2-(2,3-dipropylphenyl)-1-propyl-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is RCNVPBCABJTLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34/c1-4-10-18-14-9-16-23(20(18)11-5-2)24-17-19-13-7-8-15-21(19)22(24)12-6-3/h7-9,13-16,19,21-22,24H,4-6,10-12,17H2,1-3H3.
What are the key properties of 2-(2,3-dipropylphenyl)-1-propyl-2,3,3a,7a-tetrahydro-1H-indene?
2-(2,3-dipropylphenyl)-1-propyl-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 322.54 g/mol, XLogP of 6.85, 7 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-propyl-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 21095740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).