[2-[hydroxy-(2-methoxyphenyl)methyl]phenyl]-(2,3,5,6-tetramethylphenyl)methanone

C25H26O3 — CID 138973203

IUPAC[2-[hydroxy-(2-methoxyphenyl)methyl]phenyl]-(2,3,5,6-tetramethylphenyl)methanone
SMILESCOc1ccccc1C(O)c1ccccc1C(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C25H26O3/c1-15-14-16(2)18(4)23(17(15)3)25(27)20-11-7-6-10-19(20)24(26)21-12-8-9-13-22(21)28-5/h6-14,24,26H,1-5H3
InChIKeyAILCSMMRCLOJAB-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.24
Rot. Bonds5

About [2-[hydroxy-(2-methoxyphenyl)methyl]phenyl]-(2,3,5,6-tetramethylphenyl)methanone

[2-[hydroxy-(2-methoxyphenyl)methyl]phenyl]-(2,3,5,6-tetramethylphenyl)methanone (PubChem CID 138973203) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is [2-[hydroxy-(2-methoxyphenyl)methyl]phenyl]-(2,3,5,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Name[2-[hydroxy-(2-methoxyphenyl)methyl]phenyl]-(2,3,5,6-tetramethylphenyl)methanone
PubChem CID138973203
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Name[2-[hydroxy-(2-methoxyphenyl)methyl]phenyl]-(2,3,5,6-tetramethylphenyl)methanone
SMILESCOc1ccccc1C(O)c1ccccc1C(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C25H26O3/c1-15-14-16(2)18(4)23(17(15)3)25(27)20-11-7-6-10-19(20)24(26)21-12-8-9-13-22(21)28-5/h6-14,24,26H,1-5H3
InChIKeyAILCSMMRCLOJAB-UHFFFAOYSA-N
XLogP5.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-phenoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 141202220
(2,6-dimethoxyphenyl)-(2,4,5-trimethylphenyl)methanone
CID 112698836
2-hydroxy-2-(2-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 159768734
(4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 115368721
(2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 43337332
(2,6-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722767
2-(2-methoxyphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 43337338
(2,6-dimethoxyphenyl)-(2,3,4,6-tetramethylphenyl)methanone
CID 172752328
3-[chloro-(2-methoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63433738
2-[hydroxy-(4-methoxy-3,5-dimethylphenyl)methyl]benzoic acid
CID 83046006
[2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone
CID 141015987
bis(3-methoxy-2-methylphenyl)methanone
CID 139698462

Frequently Asked Questions

What is the IUPAC name of [2-[hydroxy-(2-methoxyphenyl)methyl]phenyl]-(2,3,5,6-tetramethylphenyl)methanone?
The IUPAC name of [2-[hydroxy-(2-methoxyphenyl)methyl]phenyl]-(2,3,5,6-tetramethylphenyl)methanone (CID 138973203) is [2-[hydroxy-(2-methoxyphenyl)methyl]phenyl]-(2,3,5,6-tetramethylphenyl)methanone.
What is the SMILES notation for [2-[hydroxy-(2-methoxyphenyl)methyl]phenyl]-(2,3,5,6-tetramethylphenyl)methanone?
The canonical SMILES for [2-[hydroxy-(2-methoxyphenyl)methyl]phenyl]-(2,3,5,6-tetramethylphenyl)methanone is COc1ccccc1C(O)c1ccccc1C(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of [2-[hydroxy-(2-methoxyphenyl)methyl]phenyl]-(2,3,5,6-tetramethylphenyl)methanone?
The InChIKey is AILCSMMRCLOJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O3/c1-15-14-16(2)18(4)23(17(15)3)25(27)20-11-7-6-10-19(20)24(26)21-12-8-9-13-22(21)28-5/h6-14,24,26H,1-5H3.
What are the key properties of [2-[hydroxy-(2-methoxyphenyl)methyl]phenyl]-(2,3,5,6-tetramethylphenyl)methanone?
[2-[hydroxy-(2-methoxyphenyl)methyl]phenyl]-(2,3,5,6-tetramethylphenyl)methanone has a molecular weight of 374.48 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[hydroxy-(2-methoxyphenyl)methyl]phenyl]-(2,3,5,6-tetramethylphenyl)methanone is sourced from PubChem (CID 138973203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).