2-(2-ethoxyphenyl)-4-methoxybutan-2-ol

C13H20O3 — CID 62802549

IUPAC2-(2-ethoxyphenyl)-4-methoxybutan-2-ol
SMILESCCOc1ccccc1C(C)(O)CCOC
InChIInChI=1S/C13H20O3/c1-4-16-12-8-6-5-7-11(12)13(2,14)9-10-15-3/h5-8,14H,4,9-10H2,1-3H3
InChIKeySEITZIXWDZIMKZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.33
Rot. Bonds6

About 2-(2-ethoxyphenyl)-4-methoxybutan-2-ol

2-(2-ethoxyphenyl)-4-methoxybutan-2-ol (PubChem CID 62802549) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-4-methoxybutan-2-ol.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-4-methoxybutan-2-ol
PubChem CID62802549
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-(2-ethoxyphenyl)-4-methoxybutan-2-ol
SMILESCCOc1ccccc1C(C)(O)CCOC
InChIInChI=1S/C13H20O3/c1-4-16-12-8-6-5-7-11(12)13(2,14)9-10-15-3/h5-8,14H,4,9-10H2,1-3H3
InChIKeySEITZIXWDZIMKZ-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol
CID 156763137
2-(2-ethoxyphenyl)-1-(ethylamino)propan-2-ol
CID 62773390
4-(2-ethoxyphenyl)heptan-4-ol
CID 114866097
2-(2-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003668
1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 107140543
1-(2-ethoxyphenyl)-2-methoxy-1-phenylethanol
CID 103465363
2-ethoxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712220
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
2-(2,3-diethoxyphenyl)propan-2-ol
CID 174362963
1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol
CID 104658806
2-[2-(trifluoromethoxy)phenyl]heptan-2-ol
CID 80557865
1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 139967229

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-4-methoxybutan-2-ol?
The IUPAC name of 2-(2-ethoxyphenyl)-4-methoxybutan-2-ol (CID 62802549) is 2-(2-ethoxyphenyl)-4-methoxybutan-2-ol.
What is the SMILES notation for 2-(2-ethoxyphenyl)-4-methoxybutan-2-ol?
The canonical SMILES for 2-(2-ethoxyphenyl)-4-methoxybutan-2-ol is CCOc1ccccc1C(C)(O)CCOC.
What is the InChIKey of 2-(2-ethoxyphenyl)-4-methoxybutan-2-ol?
The InChIKey is SEITZIXWDZIMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-16-12-8-6-5-7-11(12)13(2,14)9-10-15-3/h5-8,14H,4,9-10H2,1-3H3.
What are the key properties of 2-(2-ethoxyphenyl)-4-methoxybutan-2-ol?
2-(2-ethoxyphenyl)-4-methoxybutan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-4-methoxybutan-2-ol is sourced from PubChem (CID 62802549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).