1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone

C22H20O4 — CID 91871428

IUPAC1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
SMILESCOc1ccc(COc2ccc(C(=O)Cc3ccccc3)c(O)c2)cc1
InChIInChI=1S/C22H20O4/c1-25-18-9-7-17(8-10-18)15-26-19-11-12-20(22(24)14-19)21(23)13-16-5-3-2-4-6-16/h2-12,14,24H,13,15H2,1H3
InChIKeyRKEPTQVHDNRWFK-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.41
Rot. Bonds7

About 1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone

1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone (PubChem CID 91871428) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
PubChem CID91871428
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
SMILESCOc1ccc(COc2ccc(C(=O)Cc3ccccc3)c(O)c2)cc1
InChIInChI=1S/C22H20O4/c1-25-18-9-7-17(8-10-18)15-26-19-11-12-20(22(24)14-19)21(23)13-16-5-3-2-4-6-16/h2-12,14,24H,13,15H2,1H3
InChIKeyRKEPTQVHDNRWFK-UHFFFAOYSA-N
XLogP4.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91871425
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783
1-[2-hydroxy-4-(3-phenoxypropoxy)phenyl]-2-phenylethanone
CID 54179065
1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 58914630
1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone
CID 4534112
1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone
CID 91871423
2-hydroxy-4-[(4-methoxyphenyl)methoxy]-N-methylbenzamide
CID 68959972
1-(2-hydroxy-4-methoxyphenyl)-2-(6-methylnaphthalen-2-yl)ethanone
CID 86168500
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 15126648
1-(2-hydroxy-4-methoxyphenyl)-2-phenoxyethanone
CID 12541853
2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone
CID 161326312

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone?
The IUPAC name of 1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone (CID 91871428) is 1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone.
What is the SMILES notation for 1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone?
The canonical SMILES for 1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone is COc1ccc(COc2ccc(C(=O)Cc3ccccc3)c(O)c2)cc1.
What is the InChIKey of 1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone?
The InChIKey is RKEPTQVHDNRWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-25-18-9-7-17(8-10-18)15-26-19-11-12-20(22(24)14-19)21(23)13-16-5-3-2-4-6-16/h2-12,14,24H,13,15H2,1H3.
What are the key properties of 1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone?
1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone has a molecular weight of 348.40 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone is sourced from PubChem (CID 91871428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).