2-chlorooxybenzoic acid;dimethyl carbonate

C10H11ClO6 — CID 174925399

IUPAC2-chlorooxybenzoic acid;dimethyl carbonate
SMILESCOC(=O)OC.O=C(O)c1ccccc1OCl
InChIInChI=1S/C7H5ClO3.C3H6O3/c8-11-6-4-2-1-3-5(6)7(9)10;1-5-3(4)6-2/h1-4H,(H,9,10);1-2H3
InChIKeyGOBJBGDTTALIKE-UHFFFAOYSA-N
MW262.64 g/mol
LogP2.32
Rot. Bonds2

About 2-chlorooxybenzoic acid;dimethyl carbonate

2-chlorooxybenzoic acid;dimethyl carbonate (PubChem CID 174925399) has the molecular formula C10H11ClO6 and a molecular weight of 262.64 g/mol. Its IUPAC name is 2-chlorooxybenzoic acid;dimethyl carbonate.

Molecular Properties

Compound Name2-chlorooxybenzoic acid;dimethyl carbonate
PubChem CID174925399
Molecular FormulaC10H11ClO6
Molecular Weight262.64 g/mol
Exact Mass262.02
IUPAC Name2-chlorooxybenzoic acid;dimethyl carbonate
SMILESCOC(=O)OC.O=C(O)c1ccccc1OCl
InChIInChI=1S/C7H5ClO3.C3H6O3/c8-11-6-4-2-1-3-5(6)7(9)10;1-5-3(4)6-2/h1-4H,(H,9,10);1-2H3
InChIKeyGOBJBGDTTALIKE-UHFFFAOYSA-N
XLogP2.32
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.64
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 137455638
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2-acetyloxybenzoic acid;(E)-but-2-enedioic acid
CID 135328306
2-(2-methoxy-2-oxoethoxy)benzoic acid
CID 11218054
2-(2-methylpropanoyloxy)benzoic acid
CID 54224926
CID 6365909
CID 6365909
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
CID 66717184
CID 66717184
2-[2,3-bis(2-carboxyphenoxy)phenoxy]benzoic acid
CID 68804426
2-phenoxybenzoic acid;propan-2-ol
CID 159883753

Frequently Asked Questions

What is the IUPAC name of 2-chlorooxybenzoic acid;dimethyl carbonate?
The IUPAC name of 2-chlorooxybenzoic acid;dimethyl carbonate (CID 174925399) is 2-chlorooxybenzoic acid;dimethyl carbonate.
What is the SMILES notation for 2-chlorooxybenzoic acid;dimethyl carbonate?
The canonical SMILES for 2-chlorooxybenzoic acid;dimethyl carbonate is COC(=O)OC.O=C(O)c1ccccc1OCl.
What is the InChIKey of 2-chlorooxybenzoic acid;dimethyl carbonate?
The InChIKey is GOBJBGDTTALIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO3.C3H6O3/c8-11-6-4-2-1-3-5(6)7(9)10;1-5-3(4)6-2/h1-4H,(H,9,10);1-2H3.
What are the key properties of 2-chlorooxybenzoic acid;dimethyl carbonate?
2-chlorooxybenzoic acid;dimethyl carbonate has a molecular weight of 262.64 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorooxybenzoic acid;dimethyl carbonate is sourced from PubChem (CID 174925399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).