1-(2-ethoxyphenyl)-3-methylbutan-1-ol

C13H20O2 — CID 62802877

IUPAC1-(2-ethoxyphenyl)-3-methylbutan-1-ol
SMILESCCOc1ccccc1C(O)CC(C)C
InChIInChI=1S/C13H20O2/c1-4-15-13-8-6-5-7-11(13)12(14)9-10(2)3/h5-8,10,12,14H,4,9H2,1-3H3
InChIKeyJKCHKTKYTUEMLS-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.16
Rot. Bonds5

About 1-(2-ethoxyphenyl)-3-methylbutan-1-ol

1-(2-ethoxyphenyl)-3-methylbutan-1-ol (PubChem CID 62802877) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-methylbutan-1-ol
PubChem CID62802877
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(2-ethoxyphenyl)-3-methylbutan-1-ol
SMILESCCOc1ccccc1C(O)CC(C)C
InChIInChI=1S/C13H20O2/c1-4-15-13-8-6-5-7-11(13)12(14)9-10(2)3/h5-8,10,12,14H,4,9H2,1-3H3
InChIKeyJKCHKTKYTUEMLS-UHFFFAOYSA-N
XLogP3.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2-ethoxyphenyl)-4-methylpentan-1-ol
CID 62763452
2-chloro-1-(2-ethoxyphenyl)ethanol
CID 83001097
1-[2-(difluoromethoxy)phenyl]-3-methylbutan-1-ol
CID 63893645
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345
1-(2-ethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115533471
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
1-(2-ethylphenyl)-3-methylbutan-1-ol
CID 63901974
1-(2-ethoxyphenyl)-2-propylsulfanylethanol
CID 65129597
2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol
CID 23460388
1-(2-ethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 65145486
(1R,2S)-1-amino-1-(2-ethoxyphenyl)-5-methylhexan-2-ol
CID 171261737
1-(3-bromo-4-methylpentan-2-yl)-2-ethoxybenzene
CID 79299308

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-methylbutan-1-ol?
The IUPAC name of 1-(2-ethoxyphenyl)-3-methylbutan-1-ol (CID 62802877) is 1-(2-ethoxyphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-methylbutan-1-ol is CCOc1ccccc1C(O)CC(C)C.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-methylbutan-1-ol?
The InChIKey is JKCHKTKYTUEMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-15-13-8-6-5-7-11(13)12(14)9-10(2)3/h5-8,10,12,14H,4,9H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-3-methylbutan-1-ol?
1-(2-ethoxyphenyl)-3-methylbutan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 62802877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).