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

C26H26 — CID 87381334

IUPAC1-[2-[(1-ethylcyclobutyl)methyl]-1H-inden-4-yl]naphthalene
SMILESCCC1(CC2=Cc3c(cccc3-c3cccc4ccccc34)C2)CCC1
InChIInChI=1S/C26H26/c1-2-26(14-7-15-26)18-19-16-21-10-6-13-24(25(21)17-19)23-12-5-9-20-8-3-4-11-22(20)23/h3-6,8-13,17H,2,7,14-16,18H2,1H3
InChIKeyUKMRWKMEFZXHSO-UHFFFAOYSA-N
MW338.49 g/mol
LogP7.42
Rot. Bonds4

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

1-[2-[(1-ethylcyclobutyl)methyl]-1H-inden-4-yl]naphthalene (PubChem CID 87381334) has the molecular formula C26H26 and a molecular weight of 338.49 g/mol. Its IUPAC name is 1-[2-[(1-ethylcyclobutyl)methyl]-1H-inden-4-yl]naphthalene.

Molecular Properties

Compound Name1-[2-[(1-ethylcyclobutyl)methyl]-1H-inden-4-yl]naphthalene
PubChem CID87381334
Molecular FormulaC26H26
Molecular Weight338.49 g/mol
Exact Mass338.20
IUPAC Name1-[2-[(1-ethylcyclobutyl)methyl]-1H-inden-4-yl]naphthalene
SMILESCCC1(CC2=Cc3c(cccc3-c3cccc4ccccc34)C2)CCC1
InChIInChI=1S/C26H26/c1-2-26(14-7-15-26)18-19-16-21-10-6-13-24(25(21)17-19)23-12-5-9-20-8-3-4-11-22(20)23/h3-6,8-13,17H,2,7,14-16,18H2,1H3
InChIKeyUKMRWKMEFZXHSO-UHFFFAOYSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene
CID 87381641
4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene
CID 87381239
[4-[2-[(1-ethylcyclononyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane
CID 87381368
[4-[2-[(1-ethylcyclooctyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane
CID 87381886
1-[2-[2-(4-naphthalen-1-yl-1H-inden-2-yl)propan-2-yl]-1H-inden-4-yl]naphthalene
CID 18369872
CID 87381333
CID 87381333
trimethyl-[4-[2-[(1-propylcyclopropyl)methyl]-1H-inden-4-yl]phenyl]silane
CID 87381858
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
CID 173068360
CID 173068360
2-butyl-4-(2-phenylphenyl)-1H-indene
CID 154024612
4-(2-ethylphenyl)-2-(2-methylpropyl)-1H-indene
CID 87905875
2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene
CID 172999052

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylcyclobutyl)methyl]-1H-inden-4-yl]naphthalene?
The IUPAC name of 1-[2-[(1-ethylcyclobutyl)methyl]-1H-inden-4-yl]naphthalene (CID 87381334) is 1-[2-[(1-ethylcyclobutyl)methyl]-1H-inden-4-yl]naphthalene.
What is the SMILES notation for 1-[2-[(1-ethylcyclobutyl)methyl]-1H-inden-4-yl]naphthalene?
The canonical SMILES for 1-[2-[(1-ethylcyclobutyl)methyl]-1H-inden-4-yl]naphthalene is CCC1(CC2=Cc3c(cccc3-c3cccc4ccccc34)C2)CCC1.
What is the InChIKey of 1-[2-[(1-ethylcyclobutyl)methyl]-1H-inden-4-yl]naphthalene?
The InChIKey is UKMRWKMEFZXHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26/c1-2-26(14-7-15-26)18-19-16-21-10-6-13-24(25(21)17-19)23-12-5-9-20-8-3-4-11-22(20)23/h3-6,8-13,17H,2,7,14-16,18H2,1H3.
What are the key properties of 1-[2-[(1-ethylcyclobutyl)methyl]-1H-inden-4-yl]naphthalene?
1-[2-[(1-ethylcyclobutyl)methyl]-1H-inden-4-yl]naphthalene has a molecular weight of 338.49 g/mol, XLogP of 7.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethylcyclobutyl)methyl]-1H-inden-4-yl]naphthalene is sourced from PubChem (CID 87381334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).