2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol

C13H20O2 — CID 117297916

IUPAC2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol
SMILESCOc1cccc(C(C)(C)O)c1C(C)C
InChIInChI=1S/C13H20O2/c1-9(2)12-10(13(3,4)14)7-6-8-11(12)15-5/h6-9,14H,1-5H3
InChIKeyNNRCRZFJXHXVKE-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.05
Rot. Bonds3

About 2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol

2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol (PubChem CID 117297916) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol
PubChem CID117297916
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol
SMILESCOc1cccc(C(C)(C)O)c1C(C)C
InChIInChI=1S/C13H20O2/c1-9(2)12-10(13(3,4)14)7-6-8-11(12)15-5/h6-9,14H,1-5H3
InChIKeyNNRCRZFJXHXVKE-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxypropan-2-yl)-3-methoxyphenol;methane;3-methoxy-2-propan-2-ylphenol
CID 159086298
1-tert-butyl-3-hydroperoxy-2-propan-2-ylbenzene
CID 141095074
2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol
CID 117463264
bis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane
CID 142028900
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
1,1-bis(2,3-dimethoxyphenyl)ethanol
CID 126607821
2-(1-ethyl-7-methoxyindol-3-yl)propan-2-ol
CID 117197919
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate
CID 117349063
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine
CID 84684450
2-(1-chloroethyl)-1,3-dimethoxybenzene
CID 130480511

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol?
The IUPAC name of 2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol (CID 117297916) is 2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol?
The canonical SMILES for 2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol is COc1cccc(C(C)(C)O)c1C(C)C.
What is the InChIKey of 2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol?
The InChIKey is NNRCRZFJXHXVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9(2)12-10(13(3,4)14)7-6-8-11(12)15-5/h6-9,14H,1-5H3.
What are the key properties of 2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol?
2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 117297916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).