(1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol

C15H24O4 — CID 103034207

IUPAC(1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol
SMILESCOc1ccc([C@@H](C)O)c(OCCC(C)(C)OC)c1
InChIInChI=1S/C15H24O4/c1-11(16)13-7-6-12(17-4)10-14(13)19-9-8-15(2,3)18-5/h6-7,10-11,16H,8-9H2,1-5H3/t11-/m1/s1
InChIKeyMDTIKGGGTDFKBG-LLVKDONJSA-N
MW268.35 g/mol
LogP2.94
Rot. Bonds7

About (1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol

(1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol (PubChem CID 103034207) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol
PubChem CID103034207
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol
SMILESCOc1ccc([C@@H](C)O)c(OCCC(C)(C)OC)c1
InChIInChI=1S/C15H24O4/c1-11(16)13-7-6-12(17-4)10-14(13)19-9-8-15(2,3)18-5/h6-7,10-11,16H,8-9H2,1-5H3/t11-/m1/s1
InChIKeyMDTIKGGGTDFKBG-LLVKDONJSA-N
XLogP2.94
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
CID 83158123
1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084
(1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol
CID 82001346
(1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol
CID 103034187
methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate
CID 82001396
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
(1S)-1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol
CID 106726310

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol (CID 103034207) is (1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol is COc1ccc([C@@H](C)O)c(OCCC(C)(C)OC)c1.
What is the InChIKey of (1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol?
The InChIKey is MDTIKGGGTDFKBG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24O4/c1-11(16)13-7-6-12(17-4)10-14(13)19-9-8-15(2,3)18-5/h6-7,10-11,16H,8-9H2,1-5H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol?
(1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol has a molecular weight of 268.35 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol is sourced from PubChem (CID 103034207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).