3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol

C16H26O2 — CID 606344

IUPAC3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
SMILESCOc1ccccc1C(O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H26O2/c1-14(2,3)16(17,15(4,5)6)12-10-8-9-11-13(12)18-7/h8-11,17H,1-7H3
InChIKeyQCMYOQOWTUODQF-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.97
Rot. Bonds2

About 3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol

3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol (PubChem CID 606344) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
PubChem CID606344
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
SMILESCOc1ccccc1C(O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H26O2/c1-14(2,3)16(17,15(4,5)6)12-10-8-9-11-13(12)18-7/h8-11,17H,1-7H3
InChIKeyQCMYOQOWTUODQF-UHFFFAOYSA-N
XLogP3.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 591994
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(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one
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CID 62549935
(2R)-2-(2-methoxyphenyl)but-3-en-2-ol
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1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
3-(2-methoxyphenyl)penta-1,4-diyn-3-ol
CID 11056360
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
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1-(4-fluorophenyl)-1-(2-methoxyphenyl)ethanol
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3-hydroxy-3-(2-methoxyphenyl)-2-methylbutanenitrile
CID 79130467

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol?
The IUPAC name of 3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol (CID 606344) is 3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol.
What is the SMILES notation for 3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol?
The canonical SMILES for 3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol is COc1ccccc1C(O)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol?
The InChIKey is QCMYOQOWTUODQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-14(2,3)16(17,15(4,5)6)12-10-8-9-11-13(12)18-7/h8-11,17H,1-7H3.
What are the key properties of 3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol?
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol has a molecular weight of 250.38 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol is sourced from PubChem (CID 606344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).