1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol

C13H20O3 — CID 115624872

IUPAC1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol
SMILESCCOc1ccccc1C(O)C(C)COC
InChIInChI=1S/C13H20O3/c1-4-16-12-8-6-5-7-11(12)13(14)10(2)9-15-3/h5-8,10,13-14H,4,9H2,1-3H3
InChIKeyCHWWDOODRRGPIN-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.40
Rot. Bonds6

About 1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol

1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol (PubChem CID 115624872) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol
PubChem CID115624872
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol
SMILESCCOc1ccccc1C(O)C(C)COC
InChIInChI=1S/C13H20O3/c1-4-16-12-8-6-5-7-11(12)13(14)10(2)9-15-3/h5-8,10,13-14H,4,9H2,1-3H3
InChIKeyCHWWDOODRRGPIN-UHFFFAOYSA-N
XLogP2.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-2-methoxy-2-phenylethanol
CID 116757008
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-ol
CID 116712323
1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol
CID 103457274
2-methoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659647
2-amino-1-(2-ethoxyphenyl)-4-methylpentan-1-ol
CID 62763452
2-ethoxy-1-(2-ethoxyphenyl)-2-phenylethanol
CID 116757235
2-ethoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659557
1-(2-ethoxyphenyl)-3-methylbutan-1-ol
CID 62802877
2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104658798
3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785533
1-(2-ethoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanol
CID 103179644

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol?
The IUPAC name of 1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol (CID 115624872) is 1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol is CCOc1ccccc1C(O)C(C)COC.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol?
The InChIKey is CHWWDOODRRGPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-16-12-8-6-5-7-11(12)13(14)10(2)9-15-3/h5-8,10,13-14H,4,9H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol?
1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol is sourced from PubChem (CID 115624872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).