(2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol

C14H20O2 — CID 107005428

IUPAC(2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol
SMILESCCOc1cccc(C(O)C2CC2(C)C)c1
InChIInChI=1S/C14H20O2/c1-4-16-11-7-5-6-10(8-11)13(15)12-9-14(12,2)3/h5-8,12-13,15H,4,9H2,1-3H3
InChIKeyHEOQYMHDDGZVMJ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.16
Rot. Bonds4

About (2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol

(2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol (PubChem CID 107005428) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol
PubChem CID107005428
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol
SMILESCCOc1cccc(C(O)C2CC2(C)C)c1
InChIInChI=1S/C14H20O2/c1-4-16-11-7-5-6-10(8-11)13(15)12-9-14(12,2)3/h5-8,12-13,15H,4,9H2,1-3H3
InChIKeyHEOQYMHDDGZVMJ-UHFFFAOYSA-N
XLogP3.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64749184
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(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol
CID 115827634
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol
CID 79126025
2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol
CID 116712902
(1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol
CID 116753198
3-bromo-1-(3-ethoxyphenyl)propane-1,2-diol
CID 171859918
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol?
The IUPAC name of (2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol (CID 107005428) is (2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol is CCOc1cccc(C(O)C2CC2(C)C)c1.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol?
The InChIKey is HEOQYMHDDGZVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-16-11-7-5-6-10(8-11)13(15)12-9-14(12,2)3/h5-8,12-13,15H,4,9H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol?
(2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol has a molecular weight of 220.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol is sourced from PubChem (CID 107005428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).