methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-hydroxybutanoate

C20H24O4 — CID 10903568

IUPACmethyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-hydroxybutanoate
SMILESCCC(O)(C(=O)OC)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C20H24O4/c1-5-20(22,19(21)23-4)17-9-7-6-8-16(17)13-24-18-12-14(2)10-11-15(18)3/h6-12,22H,5,13H2,1-4H3
InChIKeyFSNYSUZJUQDUSQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.65
Rot. Bonds6

About methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-hydroxybutanoate

methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-hydroxybutanoate (PubChem CID 10903568) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-hydroxybutanoate.

Molecular Properties

Compound Namemethyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-hydroxybutanoate
PubChem CID10903568
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Namemethyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-hydroxybutanoate
SMILESCCC(O)(C(=O)OC)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C20H24O4/c1-5-20(22,19(21)23-4)17-9-7-6-8-16(17)13-24-18-12-14(2)10-11-15(18)3/h6-12,22H,5,13H2,1-4H3
InChIKeyFSNYSUZJUQDUSQ-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

2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]propan-2-yl 2-hydroxyacetate
CID 151599456
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
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one
CID 123161205
2-chloro-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]acetic acid
CID 139703547
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide
CID 18357808
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea
CID 21191814
2-[[2-(bromomethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 90113514
methyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate
CID 129038342
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methylsulfonylacetate
CID 18357810
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methylsulfinylacetate
CID 18357827
[2-[(2,5-dimethylphenoxy)methyl]phenyl] 2-methoxyiminobutanoate
CID 54211670

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-hydroxybutanoate?
The IUPAC name of methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-hydroxybutanoate (CID 10903568) is methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-hydroxybutanoate.
What is the SMILES notation for methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-hydroxybutanoate?
The canonical SMILES for methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-hydroxybutanoate is CCC(O)(C(=O)OC)c1ccccc1COc1cc(C)ccc1C.
What is the InChIKey of methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-hydroxybutanoate?
The InChIKey is FSNYSUZJUQDUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-5-20(22,19(21)23-4)17-9-7-6-8-16(17)13-24-18-12-14(2)10-11-15(18)3/h6-12,22H,5,13H2,1-4H3.
What are the key properties of methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-hydroxybutanoate?
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-hydroxybutanoate 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 methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-hydroxybutanoate is sourced from PubChem (CID 10903568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).