(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone

C13H10O4 — CID 19931688

IUPAC(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)c1ccc(O)c(O)c1
InChIInChI=1S/C13H10O4/c14-10-3-1-2-8(6-10)13(17)9-4-5-11(15)12(16)7-9/h1-7,14-16H
InChIKeyWVWMZIXXIMKKOU-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.03
Rot. Bonds2

About (3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone

(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone (PubChem CID 19931688) has the molecular formula C13H10O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is (3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone
PubChem CID19931688
Molecular FormulaC13H10O4
Molecular Weight230.22 g/mol
Exact Mass230.06
IUPAC Name(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)c1ccc(O)c(O)c1
InChIInChI=1S/C13H10O4/c14-10-3-1-2-8(6-10)13(17)9-4-5-11(15)12(16)7-9/h1-7,14-16H
InChIKeyWVWMZIXXIMKKOU-UHFFFAOYSA-N
XLogP2.03
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone
CID 19931686
(3,4-dichlorophenyl)-(3-hydroxyphenyl)methanone
CID 12639783
[4-(3-fluoro-4-hydroxyphenyl)phenyl]-(3-hydroxyphenyl)methanone
CID 56969692
[4-(3-chloro-4-hydroxyphenyl)phenyl]-(3-hydroxyphenyl)methanone
CID 56969694
1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606
[3-[3-(3,4-dihydroxybenzoyl)-4-hydroxybenzoyl]-4-hydroxyphenyl]-(3,4-dihydroxyphenyl)methanone
CID 172840396
[4-(4-hydroxyphenoxy)phenyl]-(3-hydroxyphenyl)methanone
CID 86171733
(4-bromophenyl)-(3,4-dihydroxyphenyl)methanone
CID 23509276
acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone
CID 86741070
(3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone
CID 117000378
benzene;3,4-dihydroxybenzoic acid
CID 175073097
(3,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone
CID 129260082

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone?
The IUPAC name of (3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone (CID 19931688) is (3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone.
What is the SMILES notation for (3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone?
The canonical SMILES for (3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone is O=C(c1cccc(O)c1)c1ccc(O)c(O)c1.
What is the InChIKey of (3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone?
The InChIKey is WVWMZIXXIMKKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4/c14-10-3-1-2-8(6-10)13(17)9-4-5-11(15)12(16)7-9/h1-7,14-16H.
What are the key properties of (3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone?
(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone has a molecular weight of 230.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 19931688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).