1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene

C15H22 — CID 153389368

IUPAC1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene
SMILESCCC1(Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C15H22/c1-4-15(9-10-15)11-13-5-7-14(8-6-13)12(2)3/h5-8,12H,4,9-11H2,1-3H3
InChIKeySJCZJPNJJQNFFF-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.54
Rot. Bonds4

About 1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene

1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene (PubChem CID 153389368) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene
PubChem CID153389368
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene
SMILESCCC1(Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C15H22/c1-4-15(9-10-15)11-13-5-7-14(8-6-13)12(2)3/h5-8,12H,4,9-11H2,1-3H3
InChIKeySJCZJPNJJQNFFF-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66025103
[1-[(4-propan-2-ylphenyl)methyl]cyclopentyl]methanol
CID 66026116
1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene
CID 177366881
[1-[(4-propan-2-ylphenyl)methyl]cyclohexyl]methanol
CID 66024781
[3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930450
3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane
CID 139997866
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
CID 80705541
3-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine
CID 65019826
1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol
CID 65147469
6-methyl-6-[(4-propan-2-ylphenyl)methyl]-1,4-diazepane
CID 82479646
1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol
CID 65146674

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene?
The IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene (CID 153389368) is 1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene?
The canonical SMILES for 1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene is CCC1(Cc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene?
The InChIKey is SJCZJPNJJQNFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-4-15(9-10-15)11-13-5-7-14(8-6-13)12(2)3/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of 1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene?
1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene is sourced from PubChem (CID 153389368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).