methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate

C15H21ClO4 — CID 82551491

IUPACmethyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate
SMILESCOC(=O)Cc1cc(OC(C)C)c(OC(C)C)cc1Cl
InChIInChI=1S/C15H21ClO4/c1-9(2)19-13-6-11(7-15(17)18-5)12(16)8-14(13)20-10(3)4/h6,8-10H,7H2,1-5H3
InChIKeySYXVADNHWBUAPO-UHFFFAOYSA-N
MW300.78 g/mol
LogP3.63
Rot. Bonds6

About methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate

methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate (PubChem CID 82551491) has the molecular formula C15H21ClO4 and a molecular weight of 300.78 g/mol. Its IUPAC name is methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate
PubChem CID82551491
Molecular FormulaC15H21ClO4
Molecular Weight300.78 g/mol
Exact Mass300.11
IUPAC Namemethyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate
SMILESCOC(=O)Cc1cc(OC(C)C)c(OC(C)C)cc1Cl
InChIInChI=1S/C15H21ClO4/c1-9(2)19-13-6-11(7-15(17)18-5)12(16)8-14(13)20-10(3)4/h6,8-10H,7H2,1-5H3
InChIKeySYXVADNHWBUAPO-UHFFFAOYSA-N
XLogP3.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.78
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-one
CID 117395306
3-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 117462501
3-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 117434580
2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
CID 82267978
methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
CID 82553977
methyl 2-[4-(bromomethyl)-2-chloro-5-methylphenyl]acetate
CID 171014254
2-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylamino]ethanol
CID 66525624
1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone
CID 82268179
(2R)-2-[(2,5-dichloro-4-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 167816568
methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate
CID 82550297
1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone
CID 117432206
methyl 2-(2-chloro-5-methylphenyl)acetate
CID 86187737

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate?
The IUPAC name of methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate (CID 82551491) is methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate?
The canonical SMILES for methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate is COC(=O)Cc1cc(OC(C)C)c(OC(C)C)cc1Cl.
What is the InChIKey of methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate?
The InChIKey is SYXVADNHWBUAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO4/c1-9(2)19-13-6-11(7-15(17)18-5)12(16)8-14(13)20-10(3)4/h6,8-10H,7H2,1-5H3.
What are the key properties of methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate?
methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate has a molecular weight of 300.78 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate is sourced from PubChem (CID 82551491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).