(1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol

C15H24O5 — CID 104928930

IUPAC(1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol
SMILESCCOC(COc1ccc([C@@H](C)O)cc1OC)OCC
InChIInChI=1S/C15H24O5/c1-5-18-15(19-6-2)10-20-13-8-7-12(11(3)16)9-14(13)17-4/h7-9,11,15-16H,5-6,10H2,1-4H3/t11-/m1/s1
InChIKeyCSISACSKDPRDSN-LLVKDONJSA-N
MW284.35 g/mol
LogP2.53
Rot. Bonds9

About (1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol

(1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol (PubChem CID 104928930) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is (1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol
PubChem CID104928930
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name(1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol
SMILESCCOC(COc1ccc([C@@H](C)O)cc1OC)OCC
InChIInChI=1S/C15H24O5/c1-5-18-15(19-6-2)10-20-13-8-7-12(11(3)16)9-14(13)17-4/h7-9,11,15-16H,5-6,10H2,1-4H3/t11-/m1/s1
InChIKeyCSISACSKDPRDSN-LLVKDONJSA-N
XLogP2.53
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol
CID 62104209
(1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol
CID 82928017
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol
CID 82851067
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
1-butoxy-3-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propan-2-ol
CID 107263386
(1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol
CID 104928926
1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol
CID 83952575
1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol
CID 106453708
(1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol
CID 63364627
1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol
CID 171606885

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol?
The IUPAC name of (1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol (CID 104928930) is (1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol is CCOC(COc1ccc([C@@H](C)O)cc1OC)OCC.
What is the InChIKey of (1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol?
The InChIKey is CSISACSKDPRDSN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24O5/c1-5-18-15(19-6-2)10-20-13-8-7-12(11(3)16)9-14(13)17-4/h7-9,11,15-16H,5-6,10H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol?
(1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol has a molecular weight of 284.35 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol is sourced from PubChem (CID 104928930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).