2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]propan-2-yl 2-hydroxyacetate

C20H24O4 — CID 151599456

IUPAC2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]propan-2-yl 2-hydroxyacetate
SMILESCc1ccc(C)c(OCc2ccccc2C(C)(C)OC(=O)CO)c1
InChIInChI=1S/C20H24O4/c1-14-9-10-15(2)18(11-14)23-13-16-7-5-6-8-17(16)20(3,4)24-19(22)12-21/h5-11,21H,12-13H2,1-4H3
InChIKeyQKEGWNJKBXATAB-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.65
Rot. Bonds6

About 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]propan-2-yl 2-hydroxyacetate

2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]propan-2-yl 2-hydroxyacetate (PubChem CID 151599456) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]propan-2-yl 2-hydroxyacetate.

Molecular Properties

Compound Name2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]propan-2-yl 2-hydroxyacetate
PubChem CID151599456
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]propan-2-yl 2-hydroxyacetate
SMILESCc1ccc(C)c(OCc2ccccc2C(C)(C)OC(=O)CO)c1
InChIInChI=1S/C20H24O4/c1-14-9-10-15(2)18(11-14)23-13-16-7-5-6-8-17(16)20(3,4)24-19(22)12-21/h5-11,21H,12-13H2,1-4H3
InChIKeyQKEGWNJKBXATAB-UHFFFAOYSA-N
XLogP3.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-hydroxybutanoate
CID 10903568
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-oxoacetate
CID 11141051
methyl (Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]but-2-enoate
CID 11758709
2-chloro-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]acetic acid
CID 139703547
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide
CID 67121861
2-[[2-(bromomethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 90113514
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one
CID 123161205
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide
CID 18357808
1-[(2,5-dimethylphenoxy)methyl]naphthalene
CID 78906369
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea
CID 21191814
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methylsulfonylacetate
CID 18357810
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methylsulfinylacetate
CID 18357827

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]propan-2-yl 2-hydroxyacetate?
The IUPAC name of 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]propan-2-yl 2-hydroxyacetate (CID 151599456) is 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]propan-2-yl 2-hydroxyacetate.
What is the SMILES notation for 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]propan-2-yl 2-hydroxyacetate?
The canonical SMILES for 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]propan-2-yl 2-hydroxyacetate is Cc1ccc(C)c(OCc2ccccc2C(C)(C)OC(=O)CO)c1.
What is the InChIKey of 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]propan-2-yl 2-hydroxyacetate?
The InChIKey is QKEGWNJKBXATAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-14-9-10-15(2)18(11-14)23-13-16-7-5-6-8-17(16)20(3,4)24-19(22)12-21/h5-11,21H,12-13H2,1-4H3.
What are the key properties of 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]propan-2-yl 2-hydroxyacetate?
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]propan-2-yl 2-hydroxyacetate has a molecular weight of 328.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]propan-2-yl 2-hydroxyacetate is sourced from PubChem (CID 151599456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).