ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone

C20H28O3 — CID 91044178

IUPACethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
SMILESCC.CC.COc1ccc(Cc2ccc(O)c(C(C)=O)c2)cc1
InChIInChI=1S/C16H16O3.2C2H6/c1-11(17)15-10-13(5-8-16(15)18)9-12-3-6-14(19-2)7-4-12;2*1-2/h3-8,10,18H,9H2,1-2H3;2*1-2H3
InChIKeySONHMZNAYVKIDN-UHFFFAOYSA-N
MW316.44 g/mol
LogP5.25
Rot. Bonds4

About ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone

ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone (PubChem CID 91044178) has the molecular formula C20H28O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone.

Molecular Properties

Compound Nameethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
PubChem CID91044178
Molecular FormulaC20H28O3
Molecular Weight316.44 g/mol
Exact Mass316.20
IUPAC Nameethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
SMILESCC.CC.COc1ccc(Cc2ccc(O)c(C(C)=O)c2)cc1
InChIInChI=1S/C16H16O3.2C2H6/c1-11(17)15-10-13(5-8-16(15)18)9-12-3-6-14(19-2)7-4-12;2*1-2/h3-8,10,18H,9H2,1-2H3;2*1-2H3
InChIKeySONHMZNAYVKIDN-UHFFFAOYSA-N
XLogP5.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone;1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
CID 160861227
1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
CID 22961575
1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone
CID 141104221
1-[2-hydroxy-5-(2-methoxyethoxymethyl)phenyl]ethanone
CID 19045307
methyl 5-[2-(2-acetyl-5-methoxyphenyl)ethyl]-2-hydroxybenzoate
CID 25022723
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
cyclopropane;1-[2-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]ethanone
CID 143878278
ethyl 5-[(3-ethoxycarbonyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoate
CID 23660222
[4-[[4-[4-[(4-methoxyphenyl)methyl]phenoxy]carbonyloxyphenyl]methyl]phenyl] acetate
CID 158229898
methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate
CID 160887785
N-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide
CID 19045459
(4-methoxyphenyl)methyl 5-amino-2-hydroxybenzoate
CID 61303104

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone?
The IUPAC name of ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone (CID 91044178) is ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone.
What is the SMILES notation for ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone?
The canonical SMILES for ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone is CC.CC.COc1ccc(Cc2ccc(O)c(C(C)=O)c2)cc1.
What is the InChIKey of ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone?
The InChIKey is SONHMZNAYVKIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3.2C2H6/c1-11(17)15-10-13(5-8-16(15)18)9-12-3-6-14(19-2)7-4-12;2*1-2/h3-8,10,18H,9H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone?
ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone has a molecular weight of 316.44 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone is sourced from PubChem (CID 91044178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).