(1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one

C12H16O5 — CID 46848158

IUPAC(1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one
SMILESCOc1cc(OC)c([C@@H](O)C(C)=O)cc1OC
InChIInChI=1S/C12H16O5/c1-7(13)12(14)8-5-10(16-3)11(17-4)6-9(8)15-2/h5-6,12,14H,1-4H3/t12-/m0/s1
InChIKeyLVZSTCWLAWIFNV-LBPRGKRZSA-N
MW240.25 g/mol
LogP1.33
Rot. Bonds5

About (1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one

(1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one (PubChem CID 46848158) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is (1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one.

Molecular Properties

Compound Name(1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one
PubChem CID46848158
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one
SMILESCOc1cc(OC)c([C@@H](O)C(C)=O)cc1OC
InChIInChI=1S/C12H16O5/c1-7(13)12(14)8-5-10(16-3)11(17-4)6-9(8)15-2/h5-6,12,14H,1-4H3/t12-/m0/s1
InChIKeyLVZSTCWLAWIFNV-LBPRGKRZSA-N
XLogP1.33
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid
CID 117428822
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409616
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
(3S,4S)-4-methyl-3-(2,4,5-trimethoxyphenyl)hex-5-en-2-one
CID 66552557
2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 116769401
2-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117398867
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
4-hydroxy-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)butanoic acid
CID 79414175
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)propan-2-one
CID 116859802
2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 162953882
ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate
CID 117393736

Frequently Asked Questions

What is the IUPAC name of (1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one?
The IUPAC name of (1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one (CID 46848158) is (1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one.
What is the SMILES notation for (1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one?
The canonical SMILES for (1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one is COc1cc(OC)c([C@@H](O)C(C)=O)cc1OC.
What is the InChIKey of (1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one?
The InChIKey is LVZSTCWLAWIFNV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16O5/c1-7(13)12(14)8-5-10(16-3)11(17-4)6-9(8)15-2/h5-6,12,14H,1-4H3/t12-/m0/s1.
What are the key properties of (1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one?
(1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one has a molecular weight of 240.25 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one is sourced from PubChem (CID 46848158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).