4-chloro-2-[(Z)-1-(methylideneamino)oxyprop-1-enyl]phenol

C10H10ClNO2 — CID 142810870

IUPAC4-chloro-2-[(Z)-1-(methylideneamino)oxyprop-1-enyl]phenol
SMILESC=NO/C(=C\C)c1cc(Cl)ccc1O
InChIInChI=1S/C10H10ClNO2/c1-3-10(14-12-2)8-6-7(11)4-5-9(8)13/h3-6,13H,2H2,1H3/b10-3-
InChIKeyFCMSPNOMDDALPC-KMKOMSMNSA-N
MW211.65 g/mol
LogP3.04
Rot. Bonds3

About 4-chloro-2-[(Z)-1-(methylideneamino)oxyprop-1-enyl]phenol

4-chloro-2-[(Z)-1-(methylideneamino)oxyprop-1-enyl]phenol (PubChem CID 142810870) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 4-chloro-2-[(Z)-1-(methylideneamino)oxyprop-1-enyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(Z)-1-(methylideneamino)oxyprop-1-enyl]phenol
PubChem CID142810870
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name4-chloro-2-[(Z)-1-(methylideneamino)oxyprop-1-enyl]phenol
SMILESC=NO/C(=C\C)c1cc(Cl)ccc1O
InChIInChI=1S/C10H10ClNO2/c1-3-10(14-12-2)8-6-7(11)4-5-9(8)13/h3-6,13H,2H2,1H3/b10-3-
InChIKeyFCMSPNOMDDALPC-KMKOMSMNSA-N
XLogP3.04
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 135760562
4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 3406457
2-buta-1,3-dien-2-yl-4-chlorophenol
CID 11095231
N'-[(1E)-2,3-dichloro-1-(5-chloro-2-hydroxyphenyl)buta-1,3-dienyl]carbamimidoyl chloride
CID 89199587
5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc
CID 88741905
(5-chloro-2-hydroxyphenyl)-(2-methylphenyl)methanone
CID 21463072
1-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-prop-2-enylthiourea
CID 135731090
calcium;5-chloro-2-hydroxybenzoic acid;hydride
CID 174504492
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one
CID 12572233
(5-chloro-2-hydroxyphenyl)-(3-chloro-5-methylphenyl)methanone
CID 11594340
propyl 5-chloro-2-hydroxybenzoate
CID 43389601

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(Z)-1-(methylideneamino)oxyprop-1-enyl]phenol?
The IUPAC name of 4-chloro-2-[(Z)-1-(methylideneamino)oxyprop-1-enyl]phenol (CID 142810870) is 4-chloro-2-[(Z)-1-(methylideneamino)oxyprop-1-enyl]phenol.
What is the SMILES notation for 4-chloro-2-[(Z)-1-(methylideneamino)oxyprop-1-enyl]phenol?
The canonical SMILES for 4-chloro-2-[(Z)-1-(methylideneamino)oxyprop-1-enyl]phenol is C=NO/C(=C\C)c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[(Z)-1-(methylideneamino)oxyprop-1-enyl]phenol?
The InChIKey is FCMSPNOMDDALPC-KMKOMSMNSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-3-10(14-12-2)8-6-7(11)4-5-9(8)13/h3-6,13H,2H2,1H3/b10-3-.
What are the key properties of 4-chloro-2-[(Z)-1-(methylideneamino)oxyprop-1-enyl]phenol?
4-chloro-2-[(Z)-1-(methylideneamino)oxyprop-1-enyl]phenol has a molecular weight of 211.65 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(Z)-1-(methylideneamino)oxyprop-1-enyl]phenol is sourced from PubChem (CID 142810870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).