2-[4-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]phenoxy]acetate

C18H19O5- — CID 23134391

IUPAC2-[4-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]phenoxy]acetate
SMILESCc1cc(-c2ccc(OCC(=O)[O-])cc2)cc(C)c1OCCO
InChIInChI=1S/C18H20O5/c1-12-9-15(10-13(2)18(12)22-8-7-19)14-3-5-16(6-4-14)23-11-17(20)21/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,20,21)/p-1
InChIKeyFDFMAISEBMPSRI-UHFFFAOYSA-M
MW315.35 g/mol
LogP1.47
Rot. Bonds7

About 2-[4-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]phenoxy]acetate

2-[4-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]phenoxy]acetate (PubChem CID 23134391) has the molecular formula C18H19O5- and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[4-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]phenoxy]acetate
PubChem CID23134391
Molecular FormulaC18H19O5-
Molecular Weight315.35 g/mol
Exact Mass315.12
IUPAC Name2-[4-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]phenoxy]acetate
SMILESCc1cc(-c2ccc(OCC(=O)[O-])cc2)cc(C)c1OCCO
InChIInChI=1S/C18H20O5/c1-12-9-15(10-13(2)18(12)22-8-7-19)14-3-5-16(6-4-14)23-11-17(20)21/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,20,21)/p-1
InChIKeyFDFMAISEBMPSRI-UHFFFAOYSA-M
XLogP1.47
TPSA78.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-dimethylphenyl)phenoxy]ethanol
CID 82117712
lithium 2-(4-methylphenoxy)acetate
CID 19205665
2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol
CID 67511777
3-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]benzoic acid
CID 23134397
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid
CID 66680223
3-[4-(3,4-dimethylphenyl)phenoxy]propanoic acid
CID 39369403
2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide
CID 72885050
disodium bis(2-(4-chlorophenoxy)acetate)
CID 141454820
azanium 2-(4-chlorophenoxy)acetate
CID 142591022
1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene
CID 143724561
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 7316235

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]phenoxy]acetate?
The IUPAC name of 2-[4-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]phenoxy]acetate (CID 23134391) is 2-[4-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]phenoxy]acetate.
What is the SMILES notation for 2-[4-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]phenoxy]acetate?
The canonical SMILES for 2-[4-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]phenoxy]acetate is Cc1cc(-c2ccc(OCC(=O)[O-])cc2)cc(C)c1OCCO.
What is the InChIKey of 2-[4-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]phenoxy]acetate?
The InChIKey is FDFMAISEBMPSRI-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H20O5/c1-12-9-15(10-13(2)18(12)22-8-7-19)14-3-5-16(6-4-14)23-11-17(20)21/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,20,21)/p-1.
What are the key properties of 2-[4-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]phenoxy]acetate?
2-[4-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]phenoxy]acetate has a molecular weight of 315.35 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]phenoxy]acetate is sourced from PubChem (CID 23134391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).