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

C15H24O4 — CID 103034187

IUPAC(1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol
SMILESCOc1cc([C@H](C)O)ccc1OCCC(C)(C)OC
InChIInChI=1S/C15H24O4/c1-11(16)12-6-7-13(14(10-12)17-4)19-9-8-15(2,3)18-5/h6-7,10-11,16H,8-9H2,1-5H3/t11-/m0/s1
InChIKeySACQXXGACUIMJX-NSHDSACASA-N
MW268.35 g/mol
LogP2.94
Rot. Bonds7

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

(1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol (PubChem CID 103034187) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol
PubChem CID103034187
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol
SMILESCOc1cc([C@H](C)O)ccc1OCCC(C)(C)OC
InChIInChI=1S/C15H24O4/c1-11(16)12-6-7-13(14(10-12)17-4)19-9-8-15(2,3)18-5/h6-7,10-11,16H,8-9H2,1-5H3/t11-/m0/s1
InChIKeySACQXXGACUIMJX-NSHDSACASA-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

4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol
CID 79355074
1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanol
CID 106666594
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]butan-1-ol
CID 55188992
1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 63364683
(1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol
CID 79016651
(1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]ethanol
CID 106726236
(1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol
CID 103034207
(1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 63364673
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
4-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanenitrile
CID 55189697
4-[4-(1-hydroxyethyl)-2-methoxyphenoxy]butanenitrile
CID 43503833

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol (CID 103034187) is (1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol is COc1cc([C@H](C)O)ccc1OCCC(C)(C)OC.
What is the InChIKey of (1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol?
The InChIKey is SACQXXGACUIMJX-NSHDSACASA-N. The full InChI is InChI=1S/C15H24O4/c1-11(16)12-6-7-13(14(10-12)17-4)19-9-8-15(2,3)18-5/h6-7,10-11,16H,8-9H2,1-5H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol?
(1S)-1-[3-methoxy-4-(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 (1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol is sourced from PubChem (CID 103034187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).