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

C14H20O2 — CID 81415009

IUPAC3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
SMILESCCOc1cccc(C2CC(O)C2(C)C)c1
InChIInChI=1S/C14H20O2/c1-4-16-11-7-5-6-10(8-11)12-9-13(15)14(12,2)3/h5-8,12-13,15H,4,9H2,1-3H3
InChIKeyPIOZHUHGUOLOBL-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.96
Rot. Bonds3

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

3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol (PubChem CID 81415009) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
PubChem CID81415009
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
SMILESCCOc1cccc(C2CC(O)C2(C)C)c1
InChIInChI=1S/C14H20O2/c1-4-16-11-7-5-6-10(8-11)12-9-13(15)14(12,2)3/h5-8,12-13,15H,4,9H2,1-3H3
InChIKeyPIOZHUHGUOLOBL-UHFFFAOYSA-N
XLogP2.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one
CID 81415089
3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine
CID 62354565
3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one
CID 81415576
2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 71758190
4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one
CID 66107639
5-(3-ethoxyphenyl)cyclohexane-1,3-dione
CID 17122310
1-[3-(3-ethoxyphenyl)-2,2-dimethylcyclopropyl]-N-methylmethanamine
CID 114229412
3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine
CID 81415517
2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 81415026
(2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol
CID 107005428
1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid
CID 82303248
[2-(3-ethoxyphenyl)oxolan-3-yl]methanol
CID 79365153

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol (CID 81415009) is 3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol is CCOc1cccc(C2CC(O)C2(C)C)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is PIOZHUHGUOLOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-16-11-7-5-6-10(8-11)12-9-13(15)14(12,2)3/h5-8,12-13,15H,4,9H2,1-3H3.
What are the key properties of 3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol?
3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 81415009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).