2-[2-(4-hydroxyphenyl)ethyl]benzene-1,3,5-triol

C14H14O4 — CID 163472366

IUPAC2-[2-(4-hydroxyphenyl)ethyl]benzene-1,3,5-triol
SMILESOc1ccc(CCc2c(O)cc(O)cc2O)cc1
InChIInChI=1S/C14H14O4/c15-10-4-1-9(2-5-10)3-6-12-13(17)7-11(16)8-14(12)18/h1-2,4-5,7-8,15-18H,3,6H2
InChIKeyBXOOUHBFMRHRCD-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.29
Rot. Bonds3

About 2-[2-(4-hydroxyphenyl)ethyl]benzene-1,3,5-triol

2-[2-(4-hydroxyphenyl)ethyl]benzene-1,3,5-triol (PubChem CID 163472366) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)ethyl]benzene-1,3,5-triol.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)ethyl]benzene-1,3,5-triol
PubChem CID163472366
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name2-[2-(4-hydroxyphenyl)ethyl]benzene-1,3,5-triol
SMILESOc1ccc(CCc2c(O)cc(O)cc2O)cc1
InChIInChI=1S/C14H14O4/c15-10-4-1-9(2-5-10)3-6-12-13(17)7-11(16)8-14(12)18/h1-2,4-5,7-8,15-18H,3,6H2
InChIKeyBXOOUHBFMRHRCD-UHFFFAOYSA-N
XLogP2.29
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol
CID 90416964
2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol
CID 172870512
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
2-propylbenzene-1,3,5-triol
CID 13411724
2-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-5-[2-(4-hydroxyphenyl)ethyl]phenol
CID 172871207
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic acid
CID 131972187
1-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)pentan-3-one
CID 56847287
2-(4-hydroxyphenyl)ethylazanium
CID 5249538
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol
CID 174620006
4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]pyran-2-one
CID 71424203
3-[2-(4-hydroxyphenyl)ethyl]benzonitrile
CID 46195954

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)ethyl]benzene-1,3,5-triol?
The IUPAC name of 2-[2-(4-hydroxyphenyl)ethyl]benzene-1,3,5-triol (CID 163472366) is 2-[2-(4-hydroxyphenyl)ethyl]benzene-1,3,5-triol.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)ethyl]benzene-1,3,5-triol?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)ethyl]benzene-1,3,5-triol is Oc1ccc(CCc2c(O)cc(O)cc2O)cc1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)ethyl]benzene-1,3,5-triol?
The InChIKey is BXOOUHBFMRHRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c15-10-4-1-9(2-5-10)3-6-12-13(17)7-11(16)8-14(12)18/h1-2,4-5,7-8,15-18H,3,6H2.
What are the key properties of 2-[2-(4-hydroxyphenyl)ethyl]benzene-1,3,5-triol?
2-[2-(4-hydroxyphenyl)ethyl]benzene-1,3,5-triol has a molecular weight of 246.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)ethyl]benzene-1,3,5-triol is sourced from PubChem (CID 163472366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).