methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate

C16H15ClO3 — CID 561937

IUPACmethyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H15ClO3/c1-19-16(18)10-13-7-8-15(14(17)9-13)20-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKeyMUADFZXQAYZKPE-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.63
Rot. Bonds5

About methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate

methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate (PubChem CID 561937) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
PubChem CID561937
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Namemethyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H15ClO3/c1-19-16(18)10-13-7-8-15(14(17)9-13)20-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKeyMUADFZXQAYZKPE-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 19087804
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474
methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate
CID 69211137
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid
CID 51057233
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate
CID 134307216
methyl 2-[4-[(4-chlorophenyl)methoxy]-3-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]phenyl]acetate
CID 68843556
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950
methyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate
CID 141452623
methyl (2S,3S)-2-amino-3-(3-chloro-4-phenylmethoxyphenyl)-3-hydroxypropanoate
CID 11256154
methyl 3-[3,4-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 142350282

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate?
The IUPAC name of methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate (CID 561937) is methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate?
The canonical SMILES for methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate is COC(=O)Cc1ccc(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate?
The InChIKey is MUADFZXQAYZKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-19-16(18)10-13-7-8-15(14(17)9-13)20-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3.
What are the key properties of methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate?
methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate has a molecular weight of 290.75 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate is sourced from PubChem (CID 561937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).