4-ethyl-5-[2-(2-hydroxyethoxy)ethyl]-6-phenylbenzene-1,3-diol

C18H22O4 — CID 23147494

IUPAC4-ethyl-5-[2-(2-hydroxyethoxy)ethyl]-6-phenylbenzene-1,3-diol
SMILESCCc1c(O)cc(O)c(-c2ccccc2)c1CCOCCO
InChIInChI=1S/C18H22O4/c1-2-14-15(8-10-22-11-9-19)18(17(21)12-16(14)20)13-6-4-3-5-7-13/h3-7,12,19-21H,2,8-11H2,1H3
InChIKeyBGRJCTMSCDOPLU-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.88
Rot. Bonds7

About 4-ethyl-5-[2-(2-hydroxyethoxy)ethyl]-6-phenylbenzene-1,3-diol

4-ethyl-5-[2-(2-hydroxyethoxy)ethyl]-6-phenylbenzene-1,3-diol (PubChem CID 23147494) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-ethyl-5-[2-(2-hydroxyethoxy)ethyl]-6-phenylbenzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-5-[2-(2-hydroxyethoxy)ethyl]-6-phenylbenzene-1,3-diol
PubChem CID23147494
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name4-ethyl-5-[2-(2-hydroxyethoxy)ethyl]-6-phenylbenzene-1,3-diol
SMILESCCc1c(O)cc(O)c(-c2ccccc2)c1CCOCCO
InChIInChI=1S/C18H22O4/c1-2-14-15(8-10-22-11-9-19)18(17(21)12-16(14)20)13-6-4-3-5-7-13/h3-7,12,19-21H,2,8-11H2,1H3
InChIKeyBGRJCTMSCDOPLU-UHFFFAOYSA-N
XLogP2.88
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[2-(2-hydroxyethoxy)ethyl]-6-phenylbenzene-1,3-diol?
The IUPAC name of 4-ethyl-5-[2-(2-hydroxyethoxy)ethyl]-6-phenylbenzene-1,3-diol (CID 23147494) is 4-ethyl-5-[2-(2-hydroxyethoxy)ethyl]-6-phenylbenzene-1,3-diol.
What is the SMILES notation for 4-ethyl-5-[2-(2-hydroxyethoxy)ethyl]-6-phenylbenzene-1,3-diol?
The canonical SMILES for 4-ethyl-5-[2-(2-hydroxyethoxy)ethyl]-6-phenylbenzene-1,3-diol is CCc1c(O)cc(O)c(-c2ccccc2)c1CCOCCO.
What is the InChIKey of 4-ethyl-5-[2-(2-hydroxyethoxy)ethyl]-6-phenylbenzene-1,3-diol?
The InChIKey is BGRJCTMSCDOPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-2-14-15(8-10-22-11-9-19)18(17(21)12-16(14)20)13-6-4-3-5-7-13/h3-7,12,19-21H,2,8-11H2,1H3.
What are the key properties of 4-ethyl-5-[2-(2-hydroxyethoxy)ethyl]-6-phenylbenzene-1,3-diol?
4-ethyl-5-[2-(2-hydroxyethoxy)ethyl]-6-phenylbenzene-1,3-diol has a molecular weight of 302.37 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[2-(2-hydroxyethoxy)ethyl]-6-phenylbenzene-1,3-diol is sourced from PubChem (CID 23147494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).