methyl 4-hydroxybenzoate;oxalyl dichloride

C10H8Cl2O5 — CID 174433291

IUPACmethyl 4-hydroxybenzoate;oxalyl dichloride
SMILESCOC(=O)c1ccc(O)cc1.O=C(Cl)C(=O)Cl
InChIInChI=1S/C8H8O3.C2Cl2O2/c1-11-8(10)6-2-4-7(9)5-3-6;3-1(5)2(4)6/h2-5,9H,1H3;
InChIKeyKAMZVTDUQHWCOO-UHFFFAOYSA-N
MW279.08 g/mol
LogP1.70
Rot. Bonds2

About methyl 4-hydroxybenzoate;oxalyl dichloride

methyl 4-hydroxybenzoate;oxalyl dichloride (PubChem CID 174433291) has the molecular formula C10H8Cl2O5 and a molecular weight of 279.08 g/mol. Its IUPAC name is methyl 4-hydroxybenzoate;oxalyl dichloride.

Molecular Properties

Compound Namemethyl 4-hydroxybenzoate;oxalyl dichloride
PubChem CID174433291
Molecular FormulaC10H8Cl2O5
Molecular Weight279.08 g/mol
Exact Mass277.97
IUPAC Namemethyl 4-hydroxybenzoate;oxalyl dichloride
SMILESCOC(=O)c1ccc(O)cc1.O=C(Cl)C(=O)Cl
InChIInChI=1S/C8H8O3.C2Cl2O2/c1-11-8(10)6-2-4-7(9)5-3-6;3-1(5)2(4)6/h2-5,9H,1H3;
InChIKeyKAMZVTDUQHWCOO-UHFFFAOYSA-N
XLogP1.70
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

CID 159177716
CID 159177716
4-hydroxybenzoic acid;methyl 4-hydroxybenzoate
CID 67377011
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
methyl 4-(2-chloro-2-oxoacetyl)benzoate
CID 139757358
(Z)-but-2-enedioic acid;methyl 4-hydroxybenzoate
CID 174448050
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
trideuteriomethyl 4-hydroxybenzoate
CID 57369290
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
CID 159081136
methyl 4-hydroxybenzoate;3-methylphenol
CID 174792609
methyl 4-hydroxybenzoate;3,4,5-trihydroxybenzoic acid
CID 166790822
benzaldehyde;methyl 4-hydroxybenzoate
CID 174817646

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxybenzoate;oxalyl dichloride?
The IUPAC name of methyl 4-hydroxybenzoate;oxalyl dichloride (CID 174433291) is methyl 4-hydroxybenzoate;oxalyl dichloride.
What is the SMILES notation for methyl 4-hydroxybenzoate;oxalyl dichloride?
The canonical SMILES for methyl 4-hydroxybenzoate;oxalyl dichloride is COC(=O)c1ccc(O)cc1.O=C(Cl)C(=O)Cl.
What is the InChIKey of methyl 4-hydroxybenzoate;oxalyl dichloride?
The InChIKey is KAMZVTDUQHWCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C2Cl2O2/c1-11-8(10)6-2-4-7(9)5-3-6;3-1(5)2(4)6/h2-5,9H,1H3;.
What are the key properties of methyl 4-hydroxybenzoate;oxalyl dichloride?
methyl 4-hydroxybenzoate;oxalyl dichloride has a molecular weight of 279.08 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxybenzoate;oxalyl dichloride is sourced from PubChem (CID 174433291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).