1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene

C15H22O2 — CID 107669089

IUPAC1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene
SMILESCCC(C)c1ccc(OCOCC2CC2)cc1
InChIInChI=1S/C15H22O2/c1-3-12(2)14-6-8-15(9-7-14)17-11-16-10-13-4-5-13/h6-9,12-13H,3-5,10-11H2,1-2H3
InChIKeyJWWORKLDQJFLPP-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.96
Rot. Bonds7

About 1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene

1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene (PubChem CID 107669089) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene
PubChem CID107669089
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene
SMILESCCC(C)c1ccc(OCOCC2CC2)cc1
InChIInChI=1S/C15H22O2/c1-3-12(2)14-6-8-15(9-7-14)17-11-16-10-13-4-5-13/h6-9,12-13H,3-5,10-11H2,1-2H3
InChIKeyJWWORKLDQJFLPP-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromoethoxymethoxy)-4-butan-2-ylbenzene
CID 58559906
2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine
CID 107668609
1-chloro-4-(cyclopropylmethoxymethoxy)benzene
CID 106931199
1-[4-[(4-butan-2-ylphenoxy)methyl]cyclohexyl]naphthalene
CID 71073454
1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene
CID 166703301
(3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine
CID 26190819
[5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine
CID 107668362
(1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine
CID 106929329
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
(1R)-1-[4-(cyclopropylmethoxy)phenyl]-N,N,2-trimethylpropan-1-amine
CID 118928761
4-[4-(cyclopropylmethoxymethoxy)phenyl]-N-methylbutan-2-amine
CID 106929163
1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride
CID 171689372

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene?
The IUPAC name of 1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene (CID 107669089) is 1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene.
What is the SMILES notation for 1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene?
The canonical SMILES for 1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene is CCC(C)c1ccc(OCOCC2CC2)cc1.
What is the InChIKey of 1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene?
The InChIKey is JWWORKLDQJFLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-12(2)14-6-8-15(9-7-14)17-11-16-10-13-4-5-13/h6-9,12-13H,3-5,10-11H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene?
1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene has a molecular weight of 234.34 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene is sourced from PubChem (CID 107669089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).