(2R)-3,3-diethoxy-1,1-diphenylpropane-1,2-diol

C19H24O4 — CID 129388666

IUPAC(2R)-3,3-diethoxy-1,1-diphenylpropane-1,2-diol
SMILESCCOC(OCC)[C@H](O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24O4/c1-3-22-18(23-4-2)17(20)19(21,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-18,20-21H,3-4H2,1-2H3/t17-/m0/s1
InChIKeyNSWPKYKFCOOOKK-KRWDZBQOSA-N
MW316.40 g/mol
LogP2.68
Rot. Bonds8

About (2R)-3,3-diethoxy-1,1-diphenylpropane-1,2-diol

(2R)-3,3-diethoxy-1,1-diphenylpropane-1,2-diol (PubChem CID 129388666) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2R)-3,3-diethoxy-1,1-diphenylpropane-1,2-diol.

Molecular Properties

Compound Name(2R)-3,3-diethoxy-1,1-diphenylpropane-1,2-diol
PubChem CID129388666
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name(2R)-3,3-diethoxy-1,1-diphenylpropane-1,2-diol
SMILESCCOC(OCC)[C@H](O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24O4/c1-3-22-18(23-4-2)17(20)19(21,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-18,20-21H,3-4H2,1-2H3/t17-/m0/s1
InChIKeyNSWPKYKFCOOOKK-KRWDZBQOSA-N
XLogP2.68
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2,2-diethoxy-1-phenylethanol
CID 24856463
ethoxyethane;triphenylmethanol
CID 70428584
2,2-diethoxy-1-(3-fluoro-4-pyridinyl)-1-phenylethanol
CID 57247812
acetaldehyde;1,1-diethoxyethane;2-phenylpentane-2,4-diol
CID 87322868
(3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate
CID 90300567
1,1-diethoxy-3-methyl-4-phenylbutan-2-ol
CID 101485670
4-amino-3-ethoxy-3-phenylbutan-2-ol
CID 13441348
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
ethoxy-dihydroxy-phenylphosphanium
CID 56992947
[(1R,2S)-2-benzoyloxy-1,2-diethoxyethyl] benzoate
CID 92529627
1-ethoxyethanol;toluene
CID 19827578
(1-bromo-2,2-diethoxyethyl)benzene
CID 14140193

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-diethoxy-1,1-diphenylpropane-1,2-diol?
The IUPAC name of (2R)-3,3-diethoxy-1,1-diphenylpropane-1,2-diol (CID 129388666) is (2R)-3,3-diethoxy-1,1-diphenylpropane-1,2-diol.
What is the SMILES notation for (2R)-3,3-diethoxy-1,1-diphenylpropane-1,2-diol?
The canonical SMILES for (2R)-3,3-diethoxy-1,1-diphenylpropane-1,2-diol is CCOC(OCC)[C@H](O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-3,3-diethoxy-1,1-diphenylpropane-1,2-diol?
The InChIKey is NSWPKYKFCOOOKK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24O4/c1-3-22-18(23-4-2)17(20)19(21,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-18,20-21H,3-4H2,1-2H3/t17-/m0/s1.
What are the key properties of (2R)-3,3-diethoxy-1,1-diphenylpropane-1,2-diol?
(2R)-3,3-diethoxy-1,1-diphenylpropane-1,2-diol has a molecular weight of 316.40 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-diethoxy-1,1-diphenylpropane-1,2-diol is sourced from PubChem (CID 129388666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).