2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol

C14H22O2 — CID 106790666

IUPAC2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol
SMILESCCC(CC)C(O)c1ccc(C)cc1OC
InChIInChI=1S/C14H22O2/c1-5-11(6-2)14(15)12-8-7-10(3)9-13(12)16-4/h7-9,11,14-15H,5-6H2,1-4H3
InChIKeyYLVWIRCNBSGUOJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.47
Rot. Bonds5

About 2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol

2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol (PubChem CID 106790666) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol
PubChem CID106790666
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol
SMILESCCC(CC)C(O)c1ccc(C)cc1OC
InChIInChI=1S/C14H22O2/c1-5-11(6-2)14(15)12-8-7-10(3)9-13(12)16-4/h7-9,11,14-15H,5-6H2,1-4H3
InChIKeyYLVWIRCNBSGUOJ-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-methoxy-4-methylphenyl)propane-1,2-diol
CID 170827970
3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol
CID 103783067
1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 61088457
1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol
CID 83909356
2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 65188070
2-(2-methoxy-4-methylphenyl)propan-1-ol
CID 14432753
(3,5-dimethylphenyl)-(2-methoxy-4-methylphenyl)methanol
CID 106790985
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-ol
CID 63895461
1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol
CID 103459685
2-(2,6-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106791042
tert-butyl N-[2,3-dihydroxy-3-(2-methoxy-4-methylphenyl)propyl]carbamate
CID 170832048
1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 127021057

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol?
The IUPAC name of 2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol (CID 106790666) is 2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol.
What is the SMILES notation for 2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol?
The canonical SMILES for 2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol is CCC(CC)C(O)c1ccc(C)cc1OC.
What is the InChIKey of 2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol?
The InChIKey is YLVWIRCNBSGUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-11(6-2)14(15)12-8-7-10(3)9-13(12)16-4/h7-9,11,14-15H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol?
2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol is sourced from PubChem (CID 106790666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).