(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol

C15H16O3 — CID 71416199

IUPAC(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
SMILESOC[C@H](O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H16O3/c16-10-15(17)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9,15-17H,10-11H2/t15-/m0/s1
InChIKeyIPJRVDSMSHGBDL-HNNXBMFYSA-N
MW244.29 g/mol
LogP2.29
Rot. Bonds5

About (1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol

(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol (PubChem CID 71416199) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
PubChem CID71416199
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
SMILESOC[C@H](O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H16O3/c16-10-15(17)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9,15-17H,10-11H2/t15-/m0/s1
InChIKeyIPJRVDSMSHGBDL-HNNXBMFYSA-N
XLogP2.29
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
CID 13050554
3-hydroxy-3-(4-phenylmethoxyphenyl)propanal
CID 114795255
4-hydroxy-2-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 46843455
1-(4-phenylmethoxyphenyl)hexan-1-ol
CID 65145694
3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
1-(4-phenylmethoxyphenyl)heptadecan-1-ol
CID 139807758
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
3-(4-phenylmethoxyphenyl)propane-1,2-diol
CID 19868595
2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile
CID 15557528
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol
CID 130406647
(3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile
CID 142968538

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol?
The IUPAC name of (1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol (CID 71416199) is (1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol.
What is the SMILES notation for (1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol?
The canonical SMILES for (1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol is OC[C@H](O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol?
The InChIKey is IPJRVDSMSHGBDL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16O3/c16-10-15(17)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9,15-17H,10-11H2/t15-/m0/s1.
What are the key properties of (1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol?
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol has a molecular weight of 244.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol is sourced from PubChem (CID 71416199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).