(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropane-1,2-diol

C17H26O5 — CID 72708076

IUPAC(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropane-1,2-diol
SMILESCCC1(CC)OC[C@H]([C@H](OCc2ccccc2)C(O)CO)O1
InChIInChI=1S/C17H26O5/c1-3-17(4-2)21-12-15(22-17)16(14(19)10-18)20-11-13-8-6-5-7-9-13/h5-9,14-16,18-19H,3-4,10-12H2,1-2H3/t14?,15-,16-/m1/s1
InChIKeyFJXIGRBUOLGQTC-ANGDWKNPSA-N
MW310.39 g/mol
LogP1.86
Rot. Bonds8

About (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropane-1,2-diol

(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropane-1,2-diol (PubChem CID 72708076) has the molecular formula C17H26O5 and a molecular weight of 310.39 g/mol. Its IUPAC name is (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropane-1,2-diol.

Molecular Properties

Compound Name(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropane-1,2-diol
PubChem CID72708076
Molecular FormulaC17H26O5
Molecular Weight310.39 g/mol
Exact Mass310.18
IUPAC Name(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropane-1,2-diol
SMILESCCC1(CC)OC[C@H]([C@H](OCc2ccccc2)C(O)CO)O1
InChIInChI=1S/C17H26O5/c1-3-17(4-2)21-12-15(22-17)16(14(19)10-18)20-11-13-8-6-5-7-9-13/h5-9,14-16,18-19H,3-4,10-12H2,1-2H3/t14?,15-,16-/m1/s1
InChIKeyFJXIGRBUOLGQTC-ANGDWKNPSA-N
XLogP1.86
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropane-1,2-diol with MolForge

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Related Compounds

(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol
CID 134906102
(2S,3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4-tris(phenylmethoxy)butan-1-ol
CID 15385583
(4R)-2,2-dimethyl-4-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]-1,3-dioxolane
CID 102375766
[(1R,2R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-1-phenylmethoxyhexadecan-2-yl] 4-nitrobenzoate
CID 11490543
(1S)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-1-phenylmethoxyhexadec-3-yn-2-one
CID 11363408
1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 10750187
(2S,3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(naphthalen-2-ylmethoxy)-2,3-bis(phenylmethoxy)butan-1-ol
CID 25193976
3-[4-(3,5-dichlorophenyl)phenyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylmethoxypropan-2-ol
CID 123536933
(1S,2S)-1,2-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 15929605
(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
CID 10921802
(2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane
CID 11313389
(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol
CID 11461711

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropane-1,2-diol?
The IUPAC name of (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropane-1,2-diol (CID 72708076) is (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropane-1,2-diol.
What is the SMILES notation for (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropane-1,2-diol?
The canonical SMILES for (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropane-1,2-diol is CCC1(CC)OC[C@H]([C@H](OCc2ccccc2)C(O)CO)O1.
What is the InChIKey of (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropane-1,2-diol?
The InChIKey is FJXIGRBUOLGQTC-ANGDWKNPSA-N. The full InChI is InChI=1S/C17H26O5/c1-3-17(4-2)21-12-15(22-17)16(14(19)10-18)20-11-13-8-6-5-7-9-13/h5-9,14-16,18-19H,3-4,10-12H2,1-2H3/t14?,15-,16-/m1/s1.
What are the key properties of (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropane-1,2-diol?
(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropane-1,2-diol has a molecular weight of 310.39 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropane-1,2-diol is sourced from PubChem (CID 72708076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).