(5-benzyl-2,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone

C20H16O6 — CID 19910307

IUPAC(5-benzyl-2,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
SMILESO=C(c1cc(O)c(O)c(O)c1)c1cc(Cc2ccccc2)c(O)cc1O
InChIInChI=1S/C20H16O6/c21-15-10-16(22)14(7-12(15)6-11-4-2-1-3-5-11)19(25)13-8-17(23)20(26)18(24)9-13/h1-5,7-10,21-24,26H,6H2
InChIKeyMMABUSGYMPZHGD-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.04
Rot. Bonds4

About (5-benzyl-2,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone

(5-benzyl-2,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone (PubChem CID 19910307) has the molecular formula C20H16O6 and a molecular weight of 352.34 g/mol. Its IUPAC name is (5-benzyl-2,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone.

Molecular Properties

Compound Name(5-benzyl-2,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
PubChem CID19910307
Molecular FormulaC20H16O6
Molecular Weight352.34 g/mol
Exact Mass352.09
IUPAC Name(5-benzyl-2,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
SMILESO=C(c1cc(O)c(O)c(O)c1)c1cc(Cc2ccccc2)c(O)cc1O
InChIInChI=1S/C20H16O6/c21-15-10-16(22)14(7-12(15)6-11-4-2-1-3-5-11)19(25)13-8-17(23)20(26)18(24)9-13/h1-5,7-10,21-24,26H,6H2
InChIKeyMMABUSGYMPZHGD-UHFFFAOYSA-N
XLogP3.04
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.04
H-Bond Donors ≤ 55
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

(2,4,5-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 21446297
5-benzyl-2,3,4-trihydroxybenzoic acid
CID 175212254
(4-benzyl-2-hydroxyphenyl)-phenylmethanone
CID 135369978
(2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 14094133
[4-[4-(4-benzyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone
CID 58175145
2-benzyl-4,5-ditert-butylphenol
CID 21430785
benzyl 3,4,5-trihydroxybenzoate
CID 16656514
5-[(2,4,5-trihydroxyphenyl)methyl]benzene-1,2,3-triol
CID 139941734
(2,3,4,5,6-pentahydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 146549793
5-benzyl-3,4-dimethylbenzene-1,2-diol
CID 163756803
2-(3-benzoyl-4-hydroxyphenyl)acetic acid
CID 91883998
(3-benzoyl-5-benzylphenyl)-phenylmethanone
CID 13496348

Frequently Asked Questions

What is the IUPAC name of (5-benzyl-2,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone?
The IUPAC name of (5-benzyl-2,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone (CID 19910307) is (5-benzyl-2,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone.
What is the SMILES notation for (5-benzyl-2,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone?
The canonical SMILES for (5-benzyl-2,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone is O=C(c1cc(O)c(O)c(O)c1)c1cc(Cc2ccccc2)c(O)cc1O.
What is the InChIKey of (5-benzyl-2,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone?
The InChIKey is MMABUSGYMPZHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O6/c21-15-10-16(22)14(7-12(15)6-11-4-2-1-3-5-11)19(25)13-8-17(23)20(26)18(24)9-13/h1-5,7-10,21-24,26H,6H2.
What are the key properties of (5-benzyl-2,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone?
(5-benzyl-2,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone has a molecular weight of 352.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-2,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone is sourced from PubChem (CID 19910307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).