1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone

C16H16O4 — CID 14235165

IUPAC1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
SMILESCOc1cc(O)c(C(C)=O)cc1OCc1ccccc1
InChIInChI=1S/C16H16O4/c1-11(17)13-8-16(15(19-2)9-14(13)18)20-10-12-6-4-3-5-7-12/h3-9,18H,10H2,1-2H3
InChIKeyWGTBDAMOBBAXHM-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.18
Rot. Bonds5

About 1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone

1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone (PubChem CID 14235165) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
PubChem CID14235165
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
SMILESCOc1cc(O)c(C(C)=O)cc1OCc1ccccc1
InChIInChI=1S/C16H16O4/c1-11(17)13-8-16(15(19-2)9-14(13)18)20-10-12-6-4-3-5-7-12/h3-9,18H,10H2,1-2H3
InChIKeyWGTBDAMOBBAXHM-UHFFFAOYSA-N
XLogP3.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
2-bromo-1-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethanone;1-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethanone
CID 158418562
1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone
CID 11596386
2-hydroxy-4-phenylmethoxy-5-sulfooxybenzoic acid
CID 169434263
methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate
CID 10936482
(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-one
CID 12681944
prop-2-ynoyl 2-amino-4-methoxy-5-phenylmethoxybenzoate
CID 167352804
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264
1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone
CID 139365460
methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate
CID 22667033
5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride
CID 146330375

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone?
The IUPAC name of 1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone (CID 14235165) is 1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone is COc1cc(O)c(C(C)=O)cc1OCc1ccccc1.
What is the InChIKey of 1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone?
The InChIKey is WGTBDAMOBBAXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-11(17)13-8-16(15(19-2)9-14(13)18)20-10-12-6-4-3-5-7-12/h3-9,18H,10H2,1-2H3.
What are the key properties of 1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone?
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone has a molecular weight of 272.30 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 14235165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).