1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol

C14H22O2 — CID 115827634

IUPAC1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol
SMILESCCOc1cccc(C(O)C(C)(C)CC)c1
InChIInChI=1S/C14H22O2/c1-5-14(3,4)13(15)11-8-7-9-12(10-11)16-6-2/h7-10,13,15H,5-6H2,1-4H3
InChIKeyTYHCYNUFOGNAPI-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.55
Rot. Bonds5

About 1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol

1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol (PubChem CID 115827634) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol
PubChem CID115827634
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol
SMILESCCOc1cccc(C(O)C(C)(C)CC)c1
InChIInChI=1S/C14H22O2/c1-5-14(3,4)13(15)11-8-7-9-12(10-11)16-6-2/h7-10,13,15H,5-6H2,1-4H3
InChIKeyTYHCYNUFOGNAPI-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[3-[3-(1-hydroxy-2,2-dimethylhexyl)phenoxy]phenyl]-2,2-dimethylhexan-1-ol
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(3S)-3-amino-3-(3-ethoxyphenyl)-2,2-dimethylpropan-1-ol
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1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
1-(dichloromethyl)-3-ethoxybenzene
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2-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 66039535
1-(3-ethoxyphenyl)-4-methoxy-4-methylpentan-1-ol
CID 103035096
3-amino-1-(3-ethoxyphenyl)propan-1-ol
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CID 171859918

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol?
The IUPAC name of 1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol (CID 115827634) is 1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol.
What is the SMILES notation for 1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol?
The canonical SMILES for 1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol is CCOc1cccc(C(O)C(C)(C)CC)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol?
The InChIKey is TYHCYNUFOGNAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-14(3,4)13(15)11-8-7-9-12(10-11)16-6-2/h7-10,13,15H,5-6H2,1-4H3.
What are the key properties of 1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol?
1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol is sourced from PubChem (CID 115827634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).