1-(4-methoxy-2,5-dimethylphenyl)-3-propan-2-ylcyclobutan-1-ol

C16H24O2 — CID 103564078

IUPAC1-(4-methoxy-2,5-dimethylphenyl)-3-propan-2-ylcyclobutan-1-ol
SMILESCOc1cc(C)c(C2(O)CC(C(C)C)C2)cc1C
InChIInChI=1S/C16H24O2/c1-10(2)13-8-16(17,9-13)14-6-12(4)15(18-5)7-11(14)3/h6-7,10,13,17H,8-9H2,1-5H3
InChIKeyZSUFPFQFPOBYGI-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.57
Rot. Bonds3

About 1-(4-methoxy-2,5-dimethylphenyl)-3-propan-2-ylcyclobutan-1-ol

1-(4-methoxy-2,5-dimethylphenyl)-3-propan-2-ylcyclobutan-1-ol (PubChem CID 103564078) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)-3-propan-2-ylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)-3-propan-2-ylcyclobutan-1-ol
PubChem CID103564078
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)-3-propan-2-ylcyclobutan-1-ol
SMILESCOc1cc(C)c(C2(O)CC(C(C)C)C2)cc1C
InChIInChI=1S/C16H24O2/c1-10(2)13-8-16(17,9-13)14-6-12(4)15(18-5)7-11(14)3/h6-7,10,13,17H,8-9H2,1-5H3
InChIKeyZSUFPFQFPOBYGI-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxy-2,5-dimethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171954908
3-(4-methoxy-2,5-dimethylphenyl)-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171954916
3-(4-methoxy-2,5-dimethylphenyl)-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171954925
1-(3-methoxypyrazin-2-yl)-3-propan-2-ylcyclobutan-1-ol
CID 103564328
2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid
CID 116872053
6-methoxy-4,7-dimethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ol
CID 74051581
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
1-(2,5-dichlorophenyl)-3-propan-2-ylcyclobutan-1-ol
CID 103564302
1-(3-chloro-4-methylphenyl)-3-propan-2-ylcyclobutan-1-ol
CID 107559714
9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171962017
3-chloro-3-(4-methoxy-2,5-dimethylphenyl)oxetane
CID 116876485
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopropan-1-ol
CID 84773917

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-3-propan-2-ylcyclobutan-1-ol?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-3-propan-2-ylcyclobutan-1-ol (CID 103564078) is 1-(4-methoxy-2,5-dimethylphenyl)-3-propan-2-ylcyclobutan-1-ol.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)-3-propan-2-ylcyclobutan-1-ol?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)-3-propan-2-ylcyclobutan-1-ol is COc1cc(C)c(C2(O)CC(C(C)C)C2)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)-3-propan-2-ylcyclobutan-1-ol?
The InChIKey is ZSUFPFQFPOBYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-10(2)13-8-16(17,9-13)14-6-12(4)15(18-5)7-11(14)3/h6-7,10,13,17H,8-9H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)-3-propan-2-ylcyclobutan-1-ol?
1-(4-methoxy-2,5-dimethylphenyl)-3-propan-2-ylcyclobutan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)-3-propan-2-ylcyclobutan-1-ol is sourced from PubChem (CID 103564078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).