1-[2-(2-cyclopropyl-2-methylcyclopentyl)ethyl]-4-methoxybenzene

C18H26O — CID 172994437

IUPAC1-[2-(2-cyclopropyl-2-methylcyclopentyl)ethyl]-4-methoxybenzene
SMILESCOc1ccc(CCC2CCCC2(C)C2CC2)cc1
InChIInChI=1S/C18H26O/c1-18(16-9-10-16)13-3-4-15(18)8-5-14-6-11-17(19-2)12-7-14/h6-7,11-12,15-16H,3-5,8-10,13H2,1-2H3
InChIKeyZLTFFTRJFUKXHI-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.84
Rot. Bonds5

About 1-[2-(2-cyclopropyl-2-methylcyclopentyl)ethyl]-4-methoxybenzene

1-[2-(2-cyclopropyl-2-methylcyclopentyl)ethyl]-4-methoxybenzene (PubChem CID 172994437) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-[2-(2-cyclopropyl-2-methylcyclopentyl)ethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[2-(2-cyclopropyl-2-methylcyclopentyl)ethyl]-4-methoxybenzene
PubChem CID172994437
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-[2-(2-cyclopropyl-2-methylcyclopentyl)ethyl]-4-methoxybenzene
SMILESCOc1ccc(CCC2CCCC2(C)C2CC2)cc1
InChIInChI=1S/C18H26O/c1-18(16-9-10-16)13-3-4-15(18)8-5-14-6-11-17(19-2)12-7-14/h6-7,11-12,15-16H,3-5,8-10,13H2,1-2H3
InChIKeyZLTFFTRJFUKXHI-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine
CID 65443041
5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine
CID 106779333
[(1S,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methanol
CID 11161337
cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 11506917
3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 65444252
9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol
CID 78144176
[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine
CID 81010620
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 102639912
1-[2-(4-bromo-4-pentylcyclohexyl)ethyl]-4-methoxybenzene
CID 18596669
1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine
CID 120775320
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine
CID 65447286

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclopropyl-2-methylcyclopentyl)ethyl]-4-methoxybenzene?
The IUPAC name of 1-[2-(2-cyclopropyl-2-methylcyclopentyl)ethyl]-4-methoxybenzene (CID 172994437) is 1-[2-(2-cyclopropyl-2-methylcyclopentyl)ethyl]-4-methoxybenzene.
What is the SMILES notation for 1-[2-(2-cyclopropyl-2-methylcyclopentyl)ethyl]-4-methoxybenzene?
The canonical SMILES for 1-[2-(2-cyclopropyl-2-methylcyclopentyl)ethyl]-4-methoxybenzene is COc1ccc(CCC2CCCC2(C)C2CC2)cc1.
What is the InChIKey of 1-[2-(2-cyclopropyl-2-methylcyclopentyl)ethyl]-4-methoxybenzene?
The InChIKey is ZLTFFTRJFUKXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-18(16-9-10-16)13-3-4-15(18)8-5-14-6-11-17(19-2)12-7-14/h6-7,11-12,15-16H,3-5,8-10,13H2,1-2H3.
What are the key properties of 1-[2-(2-cyclopropyl-2-methylcyclopentyl)ethyl]-4-methoxybenzene?
1-[2-(2-cyclopropyl-2-methylcyclopentyl)ethyl]-4-methoxybenzene has a molecular weight of 258.40 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclopropyl-2-methylcyclopentyl)ethyl]-4-methoxybenzene is sourced from PubChem (CID 172994437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).