(4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone

C17H18O6 — CID 159246346

IUPAC(4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(C)c(O)c2OC)cc(OC)c1O
InChIInChI=1S/C17H18O6/c1-9-5-6-11(17(23-4)14(9)18)15(19)10-7-12(21-2)16(20)13(8-10)22-3/h5-8,18,20H,1-4H3
InChIKeyYXYMKOIRXZOSGC-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.66
Rot. Bonds5

About (4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone

(4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone (PubChem CID 159246346) has the molecular formula C17H18O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is (4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone
PubChem CID159246346
Molecular FormulaC17H18O6
Molecular Weight318.33 g/mol
Exact Mass318.11
IUPAC Name(4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(C)c(O)c2OC)cc(OC)c1O
InChIInChI=1S/C17H18O6/c1-9-5-6-11(17(23-4)14(9)18)15(19)10-7-12(21-2)16(20)13(8-10)22-3/h5-8,18,20H,1-4H3
InChIKeyYXYMKOIRXZOSGC-UHFFFAOYSA-N
XLogP2.66
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103435101
(2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone
CID 22097609
(3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone
CID 56666166
(2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 18004169
(7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone
CID 67968961
(2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone
CID 67125104
2,2-dichloro-N-(2,2-dichloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide
CID 155815172
(4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434759
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone
CID 107977574
(4-hydroxy-3-methoxy-5-nitrophenyl)-(2-methylphenyl)methanone
CID 21458993
[4-(dimethylamino)naphthalen-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 44580815
(2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone
CID 174443655

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone?
The IUPAC name of (4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone (CID 159246346) is (4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for (4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone?
The canonical SMILES for (4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone is COc1cc(C(=O)c2ccc(C)c(O)c2OC)cc(OC)c1O.
What is the InChIKey of (4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone?
The InChIKey is YXYMKOIRXZOSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O6/c1-9-5-6-11(17(23-4)14(9)18)15(19)10-7-12(21-2)16(20)13(8-10)22-3/h5-8,18,20H,1-4H3.
What are the key properties of (4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone?
(4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone has a molecular weight of 318.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 159246346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).