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

C15H22O3 — CID 83150034

IUPAC2-cyclopropyl-4-(4-methoxyphenoxy)-2-methylbutan-1-ol
SMILESCOc1ccc(OCCC(C)(CO)C2CC2)cc1
InChIInChI=1S/C15H22O3/c1-15(11-16,12-3-4-12)9-10-18-14-7-5-13(17-2)6-8-14/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyBVUXJWFGRSBKHK-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.87
Rot. Bonds7

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

2-cyclopropyl-4-(4-methoxyphenoxy)-2-methylbutan-1-ol (PubChem CID 83150034) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-methoxyphenoxy)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-methoxyphenoxy)-2-methylbutan-1-ol
PubChem CID83150034
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-cyclopropyl-4-(4-methoxyphenoxy)-2-methylbutan-1-ol
SMILESCOc1ccc(OCCC(C)(CO)C2CC2)cc1
InChIInChI=1S/C15H22O3/c1-15(11-16,12-3-4-12)9-10-18-14-7-5-13(17-2)6-8-14/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyBVUXJWFGRSBKHK-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

2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol
CID 83150609
4-(4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79361726
2-amino-2-cyclopropyl-3-(4-methoxyphenoxy)propan-1-ol
CID 64803133
2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine
CID 113357130
N-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine
CID 83159980
3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 11031093
4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 83150672
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 119572344
2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine
CID 83160593
2-(aminomethyl)-2-[2-(4-methoxyphenoxy)ethyl]-4-methylpentan-1-ol
CID 106507913
2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol
CID 90294446
1-(2-chloroethoxy)-4-methoxybenzene
CID 10081150

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(4-methoxyphenoxy)-2-methylbutan-1-ol?
The IUPAC name of 2-cyclopropyl-4-(4-methoxyphenoxy)-2-methylbutan-1-ol (CID 83150034) is 2-cyclopropyl-4-(4-methoxyphenoxy)-2-methylbutan-1-ol.
What is the SMILES notation for 2-cyclopropyl-4-(4-methoxyphenoxy)-2-methylbutan-1-ol?
The canonical SMILES for 2-cyclopropyl-4-(4-methoxyphenoxy)-2-methylbutan-1-ol is COc1ccc(OCCC(C)(CO)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-4-(4-methoxyphenoxy)-2-methylbutan-1-ol?
The InChIKey is BVUXJWFGRSBKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-15(11-16,12-3-4-12)9-10-18-14-7-5-13(17-2)6-8-14/h5-8,12,16H,3-4,9-11H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-(4-methoxyphenoxy)-2-methylbutan-1-ol?
2-cyclopropyl-4-(4-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-(4-methoxyphenoxy)-2-methylbutan-1-ol is sourced from PubChem (CID 83150034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).