(1E)-N,4-dihydroxy-3-methoxybenzenecarboximidoyl chloride

C8H8ClNO3 — CID 137028253

IUPAC(1E)-N,4-dihydroxy-3-methoxybenzenecarboximidoyl chloride
SMILESCOc1cc(/C(Cl)=N\O)ccc1O
InChIInChI=1S/C8H8ClNO3/c1-13-7-4-5(8(9)10-12)2-3-6(7)11/h2-4,11-12H,1H3/b10-8+
InChIKeyBGOCCYKFRLZEJT-CSKARUKUSA-N
MW201.61 g/mol
LogP1.78
Rot. Bonds2

About (1E)-N,4-dihydroxy-3-methoxybenzenecarboximidoyl chloride

(1E)-N,4-dihydroxy-3-methoxybenzenecarboximidoyl chloride (PubChem CID 137028253) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is (1E)-N,4-dihydroxy-3-methoxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1E)-N,4-dihydroxy-3-methoxybenzenecarboximidoyl chloride
PubChem CID137028253
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name(1E)-N,4-dihydroxy-3-methoxybenzenecarboximidoyl chloride
SMILESCOc1cc(/C(Cl)=N\O)ccc1O
InChIInChI=1S/C8H8ClNO3/c1-13-7-4-5(8(9)10-12)2-3-6(7)11/h2-4,11-12H,1H3/b10-8+
InChIKeyBGOCCYKFRLZEJT-CSKARUKUSA-N
XLogP1.78
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl chloride
CID 175204394
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol
CID 136826320
acetic acid;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 66599170
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
(3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 21459023
(2S)-2-chloro-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
CID 95423197
2,2,2-trideuterio-1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 170987993
benzoic acid;4-hydroxy-3-methoxybenzoic acid
CID 159798679
(2-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 21459016
(4-hydroxy-3-methoxybenzoyl)carbamic acid
CID 140993168
4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol
CID 11321502

Frequently Asked Questions

What is the IUPAC name of (1E)-N,4-dihydroxy-3-methoxybenzenecarboximidoyl chloride?
The IUPAC name of (1E)-N,4-dihydroxy-3-methoxybenzenecarboximidoyl chloride (CID 137028253) is (1E)-N,4-dihydroxy-3-methoxybenzenecarboximidoyl chloride.
What is the SMILES notation for (1E)-N,4-dihydroxy-3-methoxybenzenecarboximidoyl chloride?
The canonical SMILES for (1E)-N,4-dihydroxy-3-methoxybenzenecarboximidoyl chloride is COc1cc(/C(Cl)=N\O)ccc1O.
What is the InChIKey of (1E)-N,4-dihydroxy-3-methoxybenzenecarboximidoyl chloride?
The InChIKey is BGOCCYKFRLZEJT-CSKARUKUSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-13-7-4-5(8(9)10-12)2-3-6(7)11/h2-4,11-12H,1H3/b10-8+.
What are the key properties of (1E)-N,4-dihydroxy-3-methoxybenzenecarboximidoyl chloride?
(1E)-N,4-dihydroxy-3-methoxybenzenecarboximidoyl chloride has a molecular weight of 201.61 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N,4-dihydroxy-3-methoxybenzenecarboximidoyl chloride is sourced from PubChem (CID 137028253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).