1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol

C16H18O5 — CID 57082676

IUPAC1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol
SMILESOCC(O)c1ccccc1Oc1ccccc1C(O)CO
InChIInChI=1S/C16H18O5/c17-9-13(19)11-5-1-3-7-15(11)21-16-8-4-2-6-12(16)14(20)10-18/h1-8,13-14,17-20H,9-10H2
InChIKeyXEFDRFPVXWTVJE-UHFFFAOYSA-N
MW290.31 g/mol
LogP1.53
Rot. Bonds6

About 1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol

1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol (PubChem CID 57082676) has the molecular formula C16H18O5 and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol
PubChem CID57082676
Molecular FormulaC16H18O5
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol
SMILESOCC(O)c1ccccc1Oc1ccccc1C(O)CO
InChIInChI=1S/C16H18O5/c17-9-13(19)11-5-1-3-7-15(11)21-16-8-4-2-6-12(16)14(20)10-18/h1-8,13-14,17-20H,9-10H2
InChIKeyXEFDRFPVXWTVJE-UHFFFAOYSA-N
XLogP1.53
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol
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(1R)-1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-ol
CID 103960427
(1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol
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CID 103960654
(1R)-1-[2-(4-ethoxyphenoxy)phenyl]propan-1-ol
CID 103960453
1-[2-(2-aminooxyethyl)phenyl]ethane-1,2-diol
CID 117287035
1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene
CID 175540729
(1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol
CID 103960528
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CID 12920935
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CID 104892698

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol?
The IUPAC name of 1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol (CID 57082676) is 1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol?
The canonical SMILES for 1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol is OCC(O)c1ccccc1Oc1ccccc1C(O)CO.
What is the InChIKey of 1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol?
The InChIKey is XEFDRFPVXWTVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c17-9-13(19)11-5-1-3-7-15(11)21-16-8-4-2-6-12(16)14(20)10-18/h1-8,13-14,17-20H,9-10H2.
What are the key properties of 1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol?
1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol has a molecular weight of 290.31 g/mol, XLogP of 1.53, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol is sourced from PubChem (CID 57082676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).