methyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate

C17H17ClO3 — CID 3054668

IUPACmethyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate
SMILESCOC(=O)CCOc1ccc(Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO3/c1-20-17(19)10-11-21-16-8-4-14(5-9-16)12-13-2-6-15(18)7-3-13/h2-9H,10-12H2,1H3
InChIKeyZOROCQXKZRFVAC-UHFFFAOYSA-N
MW304.77 g/mol
LogP3.87
Rot. Bonds6

About methyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate

methyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate (PubChem CID 3054668) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is methyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate
PubChem CID3054668
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Namemethyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate
SMILESCOC(=O)CCOc1ccc(Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO3/c1-20-17(19)10-11-21-16-8-4-14(5-9-16)12-13-2-6-15(18)7-3-13/h2-9H,10-12H2,1H3
InChIKeyZOROCQXKZRFVAC-UHFFFAOYSA-N
XLogP3.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate
CID 14882869
methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate
CID 113323144
3-[2-[4-[(4-chlorophenyl)methyl]phenoxy]acetyl]oxypropyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate
CID 3054630
methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate
CID 62027354
2-chloroethyl 3-(4-chlorophenoxy)propanoate
CID 86256389
methyl 3-[4-(2-chloroethoxy)phenyl]propanoate
CID 67053705
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
methyl 2-[3-(4-chlorophenoxy)propyl-methylamino]acetate
CID 60670349
(4-chlorophenyl)methyl 3-(4-tert-butylphenoxy)propanoate
CID 2370573
methyl 3-(4-carbamoylphenoxy)propanoate
CID 28879864
methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
CID 78955010
methyl 3-(4-propoxyphenyl)propanoate
CID 22949961

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate?
The IUPAC name of methyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate (CID 3054668) is methyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate.
What is the SMILES notation for methyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate?
The canonical SMILES for methyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate is COC(=O)CCOc1ccc(Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate?
The InChIKey is ZOROCQXKZRFVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-20-17(19)10-11-21-16-8-4-14(5-9-16)12-13-2-6-15(18)7-3-13/h2-9H,10-12H2,1H3.
What are the key properties of methyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate?
methyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate has a molecular weight of 304.77 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate is sourced from PubChem (CID 3054668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).