methyl 2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]acetate

C14H15ClO3 — CID 170755786

IUPACmethyl 2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(C2=CCOCC2)c(Cl)c1
InChIInChI=1S/C14H15ClO3/c1-17-14(16)9-10-2-3-12(13(15)8-10)11-4-6-18-7-5-11/h2-4,8H,5-7,9H2,1H3
InChIKeyDVKHEBXFAWTZMF-UHFFFAOYSA-N
MW266.72 g/mol
LogP2.86
Rot. Bonds3

About methyl 2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]acetate

methyl 2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]acetate (PubChem CID 170755786) has the molecular formula C14H15ClO3 and a molecular weight of 266.72 g/mol. Its IUPAC name is methyl 2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]acetate
PubChem CID170755786
Molecular FormulaC14H15ClO3
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Namemethyl 2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(C2=CCOCC2)c(Cl)c1
InChIInChI=1S/C14H15ClO3/c1-17-14(16)9-10-2-3-12(13(15)8-10)11-4-6-18-7-5-11/h2-4,8H,5-7,9H2,1H3
InChIKeyDVKHEBXFAWTZMF-UHFFFAOYSA-N
XLogP2.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 59627663
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methyl 2-(3,5-dichloro-4-methylphenyl)acetate
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methyl 2-(3-chloro-4-propan-2-ylsulfanylphenyl)acetate
CID 105426799
methyl 4-[[(3R,5S)-4-[[2-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoate
CID 118367219
methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate
CID 69211137
methyl 3-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]butanoate
CID 143788956
methyl 2-[7-(2-methoxy-2-oxoethyl)thianthren-2-yl]acetate
CID 19906740
2-[3-(2-methoxy-2-oxoethyl)phenyl]ethanethioic S-acid
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methyl 2-[3-chloro-4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetate
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methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
CID 561937

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]acetate?
The IUPAC name of methyl 2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]acetate (CID 170755786) is methyl 2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]acetate.
What is the SMILES notation for methyl 2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]acetate?
The canonical SMILES for methyl 2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]acetate is COC(=O)Cc1ccc(C2=CCOCC2)c(Cl)c1.
What is the InChIKey of methyl 2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]acetate?
The InChIKey is DVKHEBXFAWTZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO3/c1-17-14(16)9-10-2-3-12(13(15)8-10)11-4-6-18-7-5-11/h2-4,8H,5-7,9H2,1H3.
What are the key properties of methyl 2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]acetate?
methyl 2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]acetate has a molecular weight of 266.72 g/mol, XLogP of 2.86, 3 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-(3,6-dihydro-2H-pyran-4-yl)phenyl]acetate is sourced from PubChem (CID 170755786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).