2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol

C15H22O3 — CID 83150609

IUPAC2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol
SMILESCOc1ccccc1OCCC(C)(CO)C1CC1
InChIInChI=1S/C15H22O3/c1-15(11-16,12-7-8-12)9-10-18-14-6-4-3-5-13(14)17-2/h3-6,12,16H,7-11H2,1-2H3
InChIKeyJLJYEEYBQQRQRF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.87
Rot. Bonds7

About 2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol

2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol (PubChem CID 83150609) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol
PubChem CID83150609
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol
SMILESCOc1ccccc1OCCC(C)(CO)C1CC1
InChIInChI=1S/C15H22O3/c1-15(11-16,12-7-8-12)9-10-18-14-6-4-3-5-13(14)17-2/h3-6,12,16H,7-11H2,1-2H3
InChIKeyJLJYEEYBQQRQRF-UHFFFAOYSA-N
XLogP2.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutyl]cyclopropanamine
CID 83150520
2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine
CID 83159411
2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine
CID 83150500
1-cyclopropyl-2-(2-methoxyphenoxy)ethanone
CID 63914033
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol
CID 106506434
4-(2-methoxyphenoxy)-2-methyl-2-(methylcarbamoyl)butanoic acid
CID 114900217
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol
CID 66024501
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
4-(2-methoxyphenoxy)-2-methyl-2-phenylbutan-1-amine
CID 82138274
1-[3-(bromomethyl)-3,4-dimethylpentoxy]-2-methoxybenzene
CID 83153417

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol?
The IUPAC name of 2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol (CID 83150609) is 2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol.
What is the SMILES notation for 2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol?
The canonical SMILES for 2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol is COc1ccccc1OCCC(C)(CO)C1CC1.
What is the InChIKey of 2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol?
The InChIKey is JLJYEEYBQQRQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-15(11-16,12-7-8-12)9-10-18-14-6-4-3-5-13(14)17-2/h3-6,12,16H,7-11H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol?
2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol is sourced from PubChem (CID 83150609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).