2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate

C15H14O5 — CID 139593761

IUPAC2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate
SMILESO=C(OCCc1ccc(O)cc1)c1ccc(O)cc1O
InChIInChI=1S/C15H14O5/c16-11-3-1-10(2-4-11)7-8-20-15(19)13-6-5-12(17)9-14(13)18/h1-6,9,16-18H,7-8H2
InChIKeyXPDIRLUWWCFRQT-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.20
Rot. Bonds4

About 2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate

2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate (PubChem CID 139593761) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate
PubChem CID139593761
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate
SMILESO=C(OCCc1ccc(O)cc1)c1ccc(O)cc1O
InChIInChI=1S/C15H14O5/c16-11-3-1-10(2-4-11)7-8-20-15(19)13-6-5-12(17)9-14(13)18/h1-6,9,16-18H,7-8H2
InChIKeyXPDIRLUWWCFRQT-UHFFFAOYSA-N
XLogP2.20
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

but-3-ynyl 2,4-dihydroxybenzoate
CID 18355636
2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate
CID 2647186
ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate
CID 162013248
ethene;oxocobalt;propyl 2,4-dihydroxybenzoate
CID 89141375
2-phenylethyl 4-hydroxybenzoate
CID 11977778
[2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid
CID 66863409
[2-oxo-2-(prop-2-enylamino)ethyl] 2,4-dihydroxybenzoate
CID 2645392
2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate
CID 163078675
(4-tert-butyl-2,6-dimethylphenyl)methyl 2,4-dihydroxybenzoate
CID 5123968
2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate
CID 22287065
oxalic acid;3-piperidin-1-ylpropyl 2,4-dihydroxybenzoate
CID 18530446
2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid
CID 54530363

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate?
The IUPAC name of 2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate (CID 139593761) is 2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate.
What is the SMILES notation for 2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate?
The canonical SMILES for 2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate is O=C(OCCc1ccc(O)cc1)c1ccc(O)cc1O.
What is the InChIKey of 2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate?
The InChIKey is XPDIRLUWWCFRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c16-11-3-1-10(2-4-11)7-8-20-15(19)13-6-5-12(17)9-14(13)18/h1-6,9,16-18H,7-8H2.
What are the key properties of 2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate?
2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate has a molecular weight of 274.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate is sourced from PubChem (CID 139593761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).