2-(2-hydroxypropan-2-yl)-3-methoxyphenol;methane;3-methoxy-2-propan-2-ylphenol

C22H36O5 — CID 159086298

IUPAC2-(2-hydroxypropan-2-yl)-3-methoxyphenol;methane;3-methoxy-2-propan-2-ylphenol
SMILESC.C.COc1cccc(O)c1C(C)(C)O.COc1cccc(O)c1C(C)C
InChIInChI=1S/C10H14O3.C10H14O2.2CH4/c1-10(2,12)9-7(11)5-4-6-8(9)13-3;1-7(2)10-8(11)5-4-6-9(10)12-3;;/h4-6,11-12H,1-3H3;4-7,11H,1-3H3;2*1H4
InChIKeyKBMGGQAPKDKZON-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.42
Rot. Bonds4

About 2-(2-hydroxypropan-2-yl)-3-methoxyphenol;methane;3-methoxy-2-propan-2-ylphenol

2-(2-hydroxypropan-2-yl)-3-methoxyphenol;methane;3-methoxy-2-propan-2-ylphenol (PubChem CID 159086298) has the molecular formula C22H36O5 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-3-methoxyphenol;methane;3-methoxy-2-propan-2-ylphenol.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-3-methoxyphenol;methane;3-methoxy-2-propan-2-ylphenol
PubChem CID159086298
Molecular FormulaC22H36O5
Molecular Weight380.53 g/mol
Exact Mass380.26
IUPAC Name2-(2-hydroxypropan-2-yl)-3-methoxyphenol;methane;3-methoxy-2-propan-2-ylphenol
SMILESC.C.COc1cccc(O)c1C(C)(C)O.COc1cccc(O)c1C(C)C
InChIInChI=1S/C10H14O3.C10H14O2.2CH4/c1-10(2,12)9-7(11)5-4-6-8(9)13-3;1-7(2)10-8(11)5-4-6-9(10)12-3;;/h4-6,11-12H,1-3H3;4-7,11H,1-3H3;2*1H4
InChIKeyKBMGGQAPKDKZON-UHFFFAOYSA-N
XLogP5.42
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol
CID 117297916
2-(1,1-difluoroethyl)-3-methoxyphenol
CID 84661311
1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol
CID 116809832
bis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane
CID 142028900
2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol
CID 117439684
2-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]-3-methoxyphenol;hydrochloride
CID 171271799
3-methoxy-2-[(1S)-1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 14643101
2-(1-amino-2-hydroxyethyl)-3-methoxyphenol
CID 77129655
methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate
CID 117349063
1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 116810333
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
1-bromo-1-(2-hydroxy-6-methoxyphenyl)propan-2-one
CID 131010068

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-3-methoxyphenol;methane;3-methoxy-2-propan-2-ylphenol?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-3-methoxyphenol;methane;3-methoxy-2-propan-2-ylphenol (CID 159086298) is 2-(2-hydroxypropan-2-yl)-3-methoxyphenol;methane;3-methoxy-2-propan-2-ylphenol.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-3-methoxyphenol;methane;3-methoxy-2-propan-2-ylphenol?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-3-methoxyphenol;methane;3-methoxy-2-propan-2-ylphenol is C.C.COc1cccc(O)c1C(C)(C)O.COc1cccc(O)c1C(C)C.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-3-methoxyphenol;methane;3-methoxy-2-propan-2-ylphenol?
The InChIKey is KBMGGQAPKDKZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3.C10H14O2.2CH4/c1-10(2,12)9-7(11)5-4-6-8(9)13-3;1-7(2)10-8(11)5-4-6-9(10)12-3;;/h4-6,11-12H,1-3H3;4-7,11H,1-3H3;2*1H4.
What are the key properties of 2-(2-hydroxypropan-2-yl)-3-methoxyphenol;methane;3-methoxy-2-propan-2-ylphenol?
2-(2-hydroxypropan-2-yl)-3-methoxyphenol;methane;3-methoxy-2-propan-2-ylphenol has a molecular weight of 380.53 g/mol, XLogP of 5.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-3-methoxyphenol;methane;3-methoxy-2-propan-2-ylphenol is sourced from PubChem (CID 159086298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).