1-(4-cyclopropyloxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol

C16H24O3 — CID 114519159

IUPAC1-(4-cyclopropyloxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol
SMILESCOC(C(O)c1ccc(OC2CC2)cc1)C(C)(C)C
InChIInChI=1S/C16H24O3/c1-16(2,3)15(18-4)14(17)11-5-7-12(8-6-11)19-13-9-10-13/h5-8,13-15,17H,9-10H2,1-4H3
InChIKeySNVMPJMDJPQYOU-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.32
Rot. Bonds5

About 1-(4-cyclopropyloxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol

1-(4-cyclopropyloxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol (PubChem CID 114519159) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol
PubChem CID114519159
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-(4-cyclopropyloxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol
SMILESCOC(C(O)c1ccc(OC2CC2)cc1)C(C)(C)C
InChIInChI=1S/C16H24O3/c1-16(2,3)15(18-4)14(17)11-5-7-12(8-6-11)19-13-9-10-13/h5-8,13-15,17H,9-10H2,1-4H3
InChIKeySNVMPJMDJPQYOU-UHFFFAOYSA-N
XLogP3.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol (CID 114519159) is 1-(4-cyclopropyloxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol is COC(C(O)c1ccc(OC2CC2)cc1)C(C)(C)C.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol?
The InChIKey is SNVMPJMDJPQYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-16(2,3)15(18-4)14(17)11-5-7-12(8-6-11)19-13-9-10-13/h5-8,13-15,17H,9-10H2,1-4H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol?
1-(4-cyclopropyloxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 114519159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).