2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene

C27H28 — CID 87381641

IUPAC2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene
SMILESCCC1(CC2=Cc3c(cccc3-c3ccc4ccccc4c3)C2)CCCC1
InChIInChI=1S/C27H28/c1-2-27(14-5-6-15-27)19-20-16-23-10-7-11-25(26(23)17-20)24-13-12-21-8-3-4-9-22(21)18-24/h3-4,7-13,17-18H,2,5-6,14-16,19H2,1H3
InChIKeyUTWBDWHQOJORQI-UHFFFAOYSA-N
MW352.52 g/mol
LogP7.81
Rot. Bonds4

About 2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene

2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene (PubChem CID 87381641) has the molecular formula C27H28 and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene.

Molecular Properties

Compound Name2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene
PubChem CID87381641
Molecular FormulaC27H28
Molecular Weight352.52 g/mol
Exact Mass352.22
IUPAC Name2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene
SMILESCCC1(CC2=Cc3c(cccc3-c3ccc4ccccc4c3)C2)CCCC1
InChIInChI=1S/C27H28/c1-2-27(14-5-6-15-27)19-20-16-23-10-7-11-25(26(23)17-20)24-13-12-21-8-3-4-9-22(21)18-24/h3-4,7-13,17-18H,2,5-6,14-16,19H2,1H3
InChIKeyUTWBDWHQOJORQI-UHFFFAOYSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene
CID 87381239
1-[2-[(1-ethylcyclobutyl)methyl]-1H-inden-4-yl]naphthalene
CID 87381334
[4-[2-[(1-ethylcyclooctyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane
CID 87381886
2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene
CID 23105539
2-methyl-5-(4-naphthalen-2-yl-1H-inden-2-yl)thiophene
CID 18420530
3-(2-propyl-1H-inden-4-yl)quinoline
CID 159825483
2-ethyl-4-(3-fluorophenyl)-1H-indene
CID 173192641
2-(2-butyl-6-propan-2-yl-1H-inden-4-yl)naphthalene
CID 161273622
4-(4-chlorophenyl)-2-ethyl-1H-indene
CID 18008260
2-(1-bicyclo[2.2.1]heptanylmethyl)-4-(3,5-dimethylphenyl)-1H-indene
CID 87473332
3-(2-ethyl-1H-inden-4-yl)-1-methylpyrrole
CID 173192551
2-(2-propan-2-yl-3H-inden-4-yl)naphthalene
CID 91423371

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene?
The IUPAC name of 2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene (CID 87381641) is 2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene.
What is the SMILES notation for 2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene?
The canonical SMILES for 2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene is CCC1(CC2=Cc3c(cccc3-c3ccc4ccccc4c3)C2)CCCC1.
What is the InChIKey of 2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene?
The InChIKey is UTWBDWHQOJORQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28/c1-2-27(14-5-6-15-27)19-20-16-23-10-7-11-25(26(23)17-20)24-13-12-21-8-3-4-9-22(21)18-24/h3-4,7-13,17-18H,2,5-6,14-16,19H2,1H3.
What are the key properties of 2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene?
2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene has a molecular weight of 352.52 g/mol, XLogP of 7.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene is sourced from PubChem (CID 87381641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).