1-(2-ethoxyphenyl)-2-methylpropan-2-ol

C12H18O2 — CID 91658115

IUPAC1-(2-ethoxyphenyl)-2-methylpropan-2-ol
SMILESCCOc1ccccc1CC(C)(C)O
InChIInChI=1S/C12H18O2/c1-4-14-11-8-6-5-7-10(11)9-12(2,3)13/h5-8,13H,4,9H2,1-3H3
InChIKeyTUZNHDMFXPFQLL-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.40
Rot. Bonds4

About 1-(2-ethoxyphenyl)-2-methylpropan-2-ol

1-(2-ethoxyphenyl)-2-methylpropan-2-ol (PubChem CID 91658115) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-methylpropan-2-ol
PubChem CID91658115
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-(2-ethoxyphenyl)-2-methylpropan-2-ol
SMILESCCOc1ccccc1CC(C)(C)O
InChIInChI=1S/C12H18O2/c1-4-14-11-8-6-5-7-10(11)9-12(2,3)13/h5-8,13H,4,9H2,1-3H3
InChIKeyTUZNHDMFXPFQLL-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid
CID 82286918
1-ethoxy-2-(methylsulfanylmethyl)benzene
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1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
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4-(2-ethoxyanilino)-2-methylbutan-2-ol
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N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 2242368
1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene
CID 59836559
2-[(2-ethoxyphenyl)methylamino]-2-methylpropanamide
CID 61211249
1-(3-chlorobutyl)-2-ethoxybenzene
CID 64514219
1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 107140543
4-[(2-ethoxyphenyl)methylsulfanyl]benzoic acid
CID 43352356
1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 60881705
4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79361112

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-ethoxyphenyl)-2-methylpropan-2-ol (CID 91658115) is 1-(2-ethoxyphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-methylpropan-2-ol is CCOc1ccccc1CC(C)(C)O.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-methylpropan-2-ol?
The InChIKey is TUZNHDMFXPFQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-14-11-8-6-5-7-10(11)9-12(2,3)13/h5-8,13H,4,9H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-methylpropan-2-ol?
1-(2-ethoxyphenyl)-2-methylpropan-2-ol has a molecular weight of 194.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 91658115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).