dipotassium;1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;carbonate

C14H15BrK2O5 — CID 160914962

IUPACdipotassium;1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;carbonate
SMILESCC(=O)c1cc(Br)ccc1OC1CCCC1.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C13H15BrO2.CH2O3.2K/c1-9(15)12-8-10(14)6-7-13(12)16-11-4-2-3-5-11;2-1(3)4;;/h6-8,11H,2-5H2,1H3;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeySRGYDRGTKNWHLD-UHFFFAOYSA-L
MW421.37 g/mol
LogP-4.47
Rot. Bonds3

About dipotassium;1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;carbonate

dipotassium;1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;carbonate (PubChem CID 160914962) has the molecular formula C14H15BrK2O5 and a molecular weight of 421.37 g/mol. Its IUPAC name is dipotassium;1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;carbonate.

Molecular Properties

Compound Namedipotassium;1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;carbonate
PubChem CID160914962
Molecular FormulaC14H15BrK2O5
Molecular Weight421.37 g/mol
Exact Mass419.94
IUPAC Namedipotassium;1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;carbonate
SMILESCC(=O)c1cc(Br)ccc1OC1CCCC1.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C13H15BrO2.CH2O3.2K/c1-9(15)12-8-10(14)6-7-13(12)16-11-4-2-3-5-11;2-1(3)4;;/h6-8,11H,2-5H2,1H3;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeySRGYDRGTKNWHLD-UHFFFAOYSA-L
XLogP-4.47
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 5-4.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine
CID 160524221
1-(4-bromo-2-cyclopentyloxyphenyl)ethanone
CID 70085923
1-[5-bromo-2-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanone
CID 82971519
4-bromo-2-cyclopentyloxybenzoic acid
CID 60763632
1-[4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]ethanone
CID 114341240
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
1-[5-amino-2-(3-methylcyclohexyl)oxyphenyl]ethanone
CID 116541096
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
CID 60643994
3-(5-bromo-2-cyclopentyloxyphenyl)prop-2-enoic acid
CID 57367608
1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966680
2-cyclopentyloxy-5-iodobenzoic acid
CID 82995934
4-bromo-1-cyclobutyloxy-2-nitrobenzene
CID 62141791

Frequently Asked Questions

What is the IUPAC name of dipotassium;1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;carbonate?
The IUPAC name of dipotassium;1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;carbonate (CID 160914962) is dipotassium;1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;carbonate.
What is the SMILES notation for dipotassium;1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;carbonate?
The canonical SMILES for dipotassium;1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;carbonate is CC(=O)c1cc(Br)ccc1OC1CCCC1.O=C([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;carbonate?
The InChIKey is SRGYDRGTKNWHLD-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H15BrO2.CH2O3.2K/c1-9(15)12-8-10(14)6-7-13(12)16-11-4-2-3-5-11;2-1(3)4;;/h6-8,11H,2-5H2,1H3;(H2,2,3,4);;/q;;2*+1/p-2.
What are the key properties of dipotassium;1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;carbonate?
dipotassium;1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;carbonate has a molecular weight of 421.37 g/mol, XLogP of -4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;carbonate is sourced from PubChem (CID 160914962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).