(2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol

C16H18O4 — CID 129362160

IUPAC(2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol
SMILESOC[C@@H](O)COc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H18O4/c17-10-14(18)12-20-16-8-4-7-15(9-16)19-11-13-5-2-1-3-6-13/h1-9,14,17-18H,10-12H2/t14-/m1/s1
InChIKeySRPGWEOMGJFGCQ-CQSZACIVSA-N
MW274.32 g/mol
LogP2.00
Rot. Bonds7

About (2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol

(2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol (PubChem CID 129362160) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol
PubChem CID129362160
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name(2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol
SMILESOC[C@@H](O)COc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H18O4/c17-10-14(18)12-20-16-8-4-7-15(9-16)19-11-13-5-2-1-3-6-13/h1-9,14,17-18H,10-12H2/t14-/m1/s1
InChIKeySRPGWEOMGJFGCQ-CQSZACIVSA-N
XLogP2.00
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
actinium;3-phenoxypropane-1,2-diol
CID 22981458
3-[3-(N-phenylanilino)phenoxy]propane-1,2-diol
CID 59739427
3-[3-[3-[3-(2,3-dihydroxypropylsulfanyl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]sulfanylpropane-1,2-diol
CID 168796555
3-(4-phenylmethoxyphenyl)propane-1,2-diol
CID 19868595
benzyl N-[4-[3-(2,3-dihydroxypropoxy)phenyl]butyl]carbamate
CID 11494508
(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol
CID 82849501
CID 172760983
CID 172760983
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol?
The IUPAC name of (2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol (CID 129362160) is (2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol.
What is the SMILES notation for (2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol?
The canonical SMILES for (2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol is OC[C@@H](O)COc1cccc(OCc2ccccc2)c1.
What is the InChIKey of (2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol?
The InChIKey is SRPGWEOMGJFGCQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18O4/c17-10-14(18)12-20-16-8-4-7-15(9-16)19-11-13-5-2-1-3-6-13/h1-9,14,17-18H,10-12H2/t14-/m1/s1.
What are the key properties of (2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol?
(2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol has a molecular weight of 274.32 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol is sourced from PubChem (CID 129362160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).