4-(4-ethoxyphenyl)-3-methylbutan-1-ol

C13H20O2 — CID 112507798

IUPAC4-(4-ethoxyphenyl)-3-methylbutan-1-ol
SMILESCCOc1ccc(CC(C)CCO)cc1
InChIInChI=1S/C13H20O2/c1-3-15-13-6-4-12(5-7-13)10-11(2)8-9-14/h4-7,11,14H,3,8-10H2,1-2H3
InChIKeyRRDFAMHMXJORIV-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.65
Rot. Bonds6

About 4-(4-ethoxyphenyl)-3-methylbutan-1-ol

4-(4-ethoxyphenyl)-3-methylbutan-1-ol (PubChem CID 112507798) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-3-methylbutan-1-ol
PubChem CID112507798
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-(4-ethoxyphenyl)-3-methylbutan-1-ol
SMILESCCOc1ccc(CC(C)CCO)cc1
InChIInChI=1S/C13H20O2/c1-3-15-13-6-4-12(5-7-13)10-11(2)8-9-14/h4-7,11,14H,3,8-10H2,1-2H3
InChIKeyRRDFAMHMXJORIV-UHFFFAOYSA-N
XLogP2.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-methylpropyl)-4-ethoxybenzene
CID 64671005
4-(4-ethoxyphenyl)-3-methylbutanethioamide
CID 83932215
3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 64666892
1-(2-bromopropyl)-4-ethoxybenzene
CID 82254885
1-(4-ethoxyphenyl)butan-2-ol
CID 82161585
3-(4-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 64664768
(4-ethoxyphenyl) 4-(2-methylbutyl)benzoate
CID 91726746
2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103750718
2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol
CID 83932188
3-(4-ethoxyphenoxy)-2-methylpropan-1-ol
CID 112507833
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701
1-(4-ethoxyphenyl)butan-2-amine
CID 43566029

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-3-methylbutan-1-ol?
The IUPAC name of 4-(4-ethoxyphenyl)-3-methylbutan-1-ol (CID 112507798) is 4-(4-ethoxyphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 4-(4-ethoxyphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 4-(4-ethoxyphenyl)-3-methylbutan-1-ol is CCOc1ccc(CC(C)CCO)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-3-methylbutan-1-ol?
The InChIKey is RRDFAMHMXJORIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-15-13-6-4-12(5-7-13)10-11(2)8-9-14/h4-7,11,14H,3,8-10H2,1-2H3.
What are the key properties of 4-(4-ethoxyphenyl)-3-methylbutan-1-ol?
4-(4-ethoxyphenyl)-3-methylbutan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 112507798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).