[4-[(4-methoxyphenyl)diazenyl]phenyl]methyl carbonochloridate

C15H13ClN2O3 — CID 87506222

IUPAC[4-[(4-methoxyphenyl)diazenyl]phenyl]methyl carbonochloridate
SMILESCOc1ccc(/N=N/c2ccc(COC(=O)Cl)cc2)cc1
InChIInChI=1S/C15H13ClN2O3/c1-20-14-8-6-13(7-9-14)18-17-12-4-2-11(3-5-12)10-21-15(16)19/h2-9H,10H2,1H3/b18-17+
InChIKeyHJJXAUFQKNNYPK-ISLYRVAYSA-N
MW304.73 g/mol
LogP4.99
Rot. Bonds5

About [4-[(4-methoxyphenyl)diazenyl]phenyl]methyl carbonochloridate

[4-[(4-methoxyphenyl)diazenyl]phenyl]methyl carbonochloridate (PubChem CID 87506222) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)diazenyl]phenyl]methyl carbonochloridate.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)diazenyl]phenyl]methyl carbonochloridate
PubChem CID87506222
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name[4-[(4-methoxyphenyl)diazenyl]phenyl]methyl carbonochloridate
SMILESCOc1ccc(/N=N/c2ccc(COC(=O)Cl)cc2)cc1
InChIInChI=1S/C15H13ClN2O3/c1-20-14-8-6-13(7-9-14)18-17-12-4-2-11(3-5-12)10-21-15(16)19/h2-9H,10H2,1H3/b18-17+
InChIKeyHJJXAUFQKNNYPK-ISLYRVAYSA-N
XLogP4.99
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[4-(carbonochloridoyloxymethyl)phenyl]methyl carbonochloridate
CID 19028303
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
methyl 4-(carbonochloridoyloxymethyl)benzoate
CID 54328192
(4-methoxyphenyl)methyl 2-bromoacetate
CID 10587465
bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate
CID 19075817
benzyl N-[(4-methoxyphenyl)diazenyl]carbamate;carbamic acid
CID 136641675
benzyl carbonochloridate
CID 10387
(4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate
CID 61303513
cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid
CID 166500685
(4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate
CID 62695261
4-[(4-methoxyphenyl)methoxy]-3-methyl-4-oxobut-2-enoate
CID 71347951

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)diazenyl]phenyl]methyl carbonochloridate?
The IUPAC name of [4-[(4-methoxyphenyl)diazenyl]phenyl]methyl carbonochloridate (CID 87506222) is [4-[(4-methoxyphenyl)diazenyl]phenyl]methyl carbonochloridate.
What is the SMILES notation for [4-[(4-methoxyphenyl)diazenyl]phenyl]methyl carbonochloridate?
The canonical SMILES for [4-[(4-methoxyphenyl)diazenyl]phenyl]methyl carbonochloridate is COc1ccc(/N=N/c2ccc(COC(=O)Cl)cc2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)diazenyl]phenyl]methyl carbonochloridate?
The InChIKey is HJJXAUFQKNNYPK-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-20-14-8-6-13(7-9-14)18-17-12-4-2-11(3-5-12)10-21-15(16)19/h2-9H,10H2,1H3/b18-17+.
What are the key properties of [4-[(4-methoxyphenyl)diazenyl]phenyl]methyl carbonochloridate?
[4-[(4-methoxyphenyl)diazenyl]phenyl]methyl carbonochloridate has a molecular weight of 304.73 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)diazenyl]phenyl]methyl carbonochloridate is sourced from PubChem (CID 87506222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).