(1R)-2,2-diethoxy-1-phenylethanol

C12H18O3 — CID 24856463

IUPAC(1R)-2,2-diethoxy-1-phenylethanol
SMILESCCOC(OCC)[C@H](O)c1ccccc1
InChIInChI=1S/C12H18O3/c1-3-14-12(15-4-2)11(13)10-8-6-5-7-9-10/h5-9,11-13H,3-4H2,1-2H3/t11-/m1/s1
InChIKeyYSGJEEVUJUHJOJ-LLVKDONJSA-N
MW210.27 g/mol
LogP2.12
Rot. Bonds6

About (1R)-2,2-diethoxy-1-phenylethanol

(1R)-2,2-diethoxy-1-phenylethanol (PubChem CID 24856463) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (1R)-2,2-diethoxy-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2,2-diethoxy-1-phenylethanol
PubChem CID24856463
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(1R)-2,2-diethoxy-1-phenylethanol
SMILESCCOC(OCC)[C@H](O)c1ccccc1
InChIInChI=1S/C12H18O3/c1-3-14-12(15-4-2)11(13)10-8-6-5-7-9-10/h5-9,11-13H,3-4H2,1-2H3/t11-/m1/s1
InChIKeyYSGJEEVUJUHJOJ-LLVKDONJSA-N
XLogP2.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-1,2-diphenylethanol
CID 3767197
2,2-diethoxy-1-(3-methylphenyl)ethanol
CID 79494986
(1R)-2,2-diethoxy-1-naphthalen-2-ylethanol
CID 102400657
(1-bromo-2,2-diethoxyethyl)benzene
CID 14140193
2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543713
(E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol
CID 102092831
2-ethoxy-1-phenylpent-4-en-1-ol
CID 12857067
(1R)-4,4-diethoxy-1-phenylbut-2-yn-1-ol
CID 95737739
2-ethoxy-1-(2-ethoxyphenyl)-2-phenylethanol
CID 116757235
2-ethoxy-1-(4-methoxyphenyl)-2-phenylethanol
CID 116757104
1-(4-cyclobutylphenyl)-2,2-diethoxyethanol
CID 116505826
1-(3,5-difluorophenyl)-2,2-diethoxyethanol
CID 79496044

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-diethoxy-1-phenylethanol?
The IUPAC name of (1R)-2,2-diethoxy-1-phenylethanol (CID 24856463) is (1R)-2,2-diethoxy-1-phenylethanol.
What is the SMILES notation for (1R)-2,2-diethoxy-1-phenylethanol?
The canonical SMILES for (1R)-2,2-diethoxy-1-phenylethanol is CCOC(OCC)[C@H](O)c1ccccc1.
What is the InChIKey of (1R)-2,2-diethoxy-1-phenylethanol?
The InChIKey is YSGJEEVUJUHJOJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-14-12(15-4-2)11(13)10-8-6-5-7-9-10/h5-9,11-13H,3-4H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-2,2-diethoxy-1-phenylethanol?
(1R)-2,2-diethoxy-1-phenylethanol has a molecular weight of 210.27 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-diethoxy-1-phenylethanol is sourced from PubChem (CID 24856463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).