(3-ethoxy-4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone

C15H14O6 — CID 122601329

IUPAC(3-ethoxy-4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone
SMILESCCOc1cc(C(=O)c2ccc(O)c(O)c2O)ccc1O
InChIInChI=1S/C15H14O6/c1-2-21-12-7-8(3-5-10(12)16)13(18)9-4-6-11(17)15(20)14(9)19/h3-7,16-17,19-20H,2H2,1H3
InChIKeyZEBPBXJCQFLPGC-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.14
Rot. Bonds4

About (3-ethoxy-4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone

(3-ethoxy-4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone (PubChem CID 122601329) has the molecular formula C15H14O6 and a molecular weight of 290.27 g/mol. Its IUPAC name is (3-ethoxy-4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-ethoxy-4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone
PubChem CID122601329
Molecular FormulaC15H14O6
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Name(3-ethoxy-4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone
SMILESCCOc1cc(C(=O)c2ccc(O)c(O)c2O)ccc1O
InChIInChI=1S/C15H14O6/c1-2-21-12-7-8(3-5-10(12)16)13(18)9-4-6-11(17)15(20)14(9)19/h3-7,16-17,19-20H,2H2,1H3
InChIKeyZEBPBXJCQFLPGC-UHFFFAOYSA-N
XLogP2.14
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

bis(3,4-diethoxyphenyl)methanone
CID 135325793
N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2,3-dihydroxybenzamide
CID 146301946
1-(3-ethoxy-4-hydroxyphenyl)butan-2-one
CID 154133962
ethyl 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate
CID 103601084
3-(3-ethoxy-4-hydroxyphenyl)-2-oxopropanoic acid
CID 16781603
(3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 69205784
[5-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)methyl]-4-ethoxy-2-hydroxyphenyl]-phenylmethanone
CID 22643675
4-amino-2-ethoxyphenol
CID 12856010
(2,3-dihydroxy-4-methoxyphenyl)-(2,3,4-trihydroxyphenyl)methanone
CID 19910328
(4-amino-2-ethoxyphenyl)-phenylmethanone
CID 23323350
(3,4-diethoxyphenyl)-(2-fluorophenyl)methanone
CID 43337653
(4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone
CID 82268169

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone?
The IUPAC name of (3-ethoxy-4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone (CID 122601329) is (3-ethoxy-4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone.
What is the SMILES notation for (3-ethoxy-4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone?
The canonical SMILES for (3-ethoxy-4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone is CCOc1cc(C(=O)c2ccc(O)c(O)c2O)ccc1O.
What is the InChIKey of (3-ethoxy-4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone?
The InChIKey is ZEBPBXJCQFLPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O6/c1-2-21-12-7-8(3-5-10(12)16)13(18)9-4-6-11(17)15(20)14(9)19/h3-7,16-17,19-20H,2H2,1H3.
What are the key properties of (3-ethoxy-4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone?
(3-ethoxy-4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone has a molecular weight of 290.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone is sourced from PubChem (CID 122601329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).