(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol

C13H20O3 — CID 94920372

IUPAC(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol
SMILESCCOc1ccc(CC[C@@H](C)O)cc1OC
InChIInChI=1S/C13H20O3/c1-4-16-12-8-7-11(6-5-10(2)14)9-13(12)15-3/h7-10,14H,4-6H2,1-3H3/t10-/m1/s1
InChIKeyZONKYAZSBRCDEN-SNVBAGLBSA-N
MW224.30 g/mol
LogP2.41
Rot. Bonds6

About (2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol

(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol (PubChem CID 94920372) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol
PubChem CID94920372
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol
SMILESCCOc1ccc(CC[C@@H](C)O)cc1OC
InChIInChI=1S/C13H20O3/c1-4-16-12-8-7-11(6-5-10(2)14)9-13(12)15-3/h7-10,14H,4-6H2,1-3H3/t10-/m1/s1
InChIKeyZONKYAZSBRCDEN-SNVBAGLBSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 82185525
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
CID 108891611
3-(3-ethoxy-4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol
CID 82185656
4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol
CID 119122211
1-(3,4-dimethoxyphenyl)hexane-3,4-diol
CID 83928894
2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine
CID 82643956
4-(3-bromo-4-methylpentyl)-1,2-diethoxybenzene
CID 64507643
4-(4-ethoxy-3-methoxyphenyl)butanoic acid
CID 82265678
3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
CID 19221699
3-(3-ethoxy-4-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 82185500
4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene
CID 16637893
3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine
CID 116989176

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol?
The IUPAC name of (2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol (CID 94920372) is (2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol.
What is the SMILES notation for (2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol?
The canonical SMILES for (2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol is CCOc1ccc(CC[C@@H](C)O)cc1OC.
What is the InChIKey of (2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol?
The InChIKey is ZONKYAZSBRCDEN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-16-12-8-7-11(6-5-10(2)14)9-13(12)15-3/h7-10,14H,4-6H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol?
(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 94920372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).