2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone

C18H20O3 — CID 20613046

IUPAC2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone
SMILESCc1c(C)c(C)c(OCC(=O)c2ccccc2)c(O)c1C
InChIInChI=1S/C18H20O3/c1-11-12(2)14(4)18(17(20)13(11)3)21-10-16(19)15-8-6-5-7-9-15/h5-9,20H,10H2,1-4H3
InChIKeyZEKZPMBLWSONSM-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.89
Rot. Bonds4

About 2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone

2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone (PubChem CID 20613046) has the molecular formula C18H20O3 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone
PubChem CID20613046
Molecular FormulaC18H20O3
Molecular Weight284.35 g/mol
Exact Mass284.14
IUPAC Name2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone
SMILESCc1c(C)c(C)c(OCC(=O)c2ccccc2)c(O)c1C
InChIInChI=1S/C18H20O3/c1-11-12(2)14(4)18(17(20)13(11)3)21-10-16(19)15-8-6-5-7-9-15/h5-9,20H,10H2,1-4H3
InChIKeyZEKZPMBLWSONSM-UHFFFAOYSA-N
XLogP3.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone
CID 8914654
(2-phenacyloxyphenyl) acetate
CID 2303836
2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone
CID 134064664
2-(2,6-dibromophenoxy)-1-phenylethanone
CID 60593987
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
phenol;2-phenoxy-1-phenylethanone
CID 161484281
2-phenacyloxy-1-phenylethanone
CID 12781821
2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone
CID 167431129
(2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone
CID 174405898
2-(2-chloro-6-fluorophenoxy)-1-phenylethanone
CID 83051091
1-phenyl-2-[(5,11,17,25-tetratert-butyl-27,28,30-triphenacyloxy-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3,5,7(30),9(29),10,12,15(28),16,18,23,25-dodecaen-29-yl)oxy]ethanone
CID 15862001
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone?
The IUPAC name of 2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone (CID 20613046) is 2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone.
What is the SMILES notation for 2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone?
The canonical SMILES for 2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone is Cc1c(C)c(C)c(OCC(=O)c2ccccc2)c(O)c1C.
What is the InChIKey of 2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone?
The InChIKey is ZEKZPMBLWSONSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-11-12(2)14(4)18(17(20)13(11)3)21-10-16(19)15-8-6-5-7-9-15/h5-9,20H,10H2,1-4H3.
What are the key properties of 2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone?
2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone has a molecular weight of 284.35 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone is sourced from PubChem (CID 20613046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).