2-chloro-6-[(E)-hydroxyiminomethyl]-3-(4-hydroxy-3-prop-1-en-2-ylphenyl)phenol

C16H14ClNO3 — CID 154672863

IUPAC2-chloro-6-[(E)-hydroxyiminomethyl]-3-(4-hydroxy-3-prop-1-en-2-ylphenyl)phenol
SMILESC=C(C)c1cc(-c2ccc(/C=N/O)c(O)c2Cl)ccc1O
InChIInChI=1S/C16H14ClNO3/c1-9(2)13-7-10(4-6-14(13)19)12-5-3-11(8-18-21)16(20)15(12)17/h3-8,19-21H,1H2,2H3/b18-8+
InChIKeyJLZYTUDUYJTGDE-QGMBQPNBSA-N
MW303.75 g/mol
LogP4.26
Rot. Bonds3

About 2-chloro-6-[(E)-hydroxyiminomethyl]-3-(4-hydroxy-3-prop-1-en-2-ylphenyl)phenol

2-chloro-6-[(E)-hydroxyiminomethyl]-3-(4-hydroxy-3-prop-1-en-2-ylphenyl)phenol (PubChem CID 154672863) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-chloro-6-[(E)-hydroxyiminomethyl]-3-(4-hydroxy-3-prop-1-en-2-ylphenyl)phenol.

Molecular Properties

Compound Name2-chloro-6-[(E)-hydroxyiminomethyl]-3-(4-hydroxy-3-prop-1-en-2-ylphenyl)phenol
PubChem CID154672863
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-chloro-6-[(E)-hydroxyiminomethyl]-3-(4-hydroxy-3-prop-1-en-2-ylphenyl)phenol
SMILESC=C(C)c1cc(-c2ccc(/C=N/O)c(O)c2Cl)ccc1O
InChIInChI=1S/C16H14ClNO3/c1-9(2)13-7-10(4-6-14(13)19)12-5-3-11(8-18-21)16(20)15(12)17/h3-8,19-21H,1H2,2H3/b18-8+
InChIKeyJLZYTUDUYJTGDE-QGMBQPNBSA-N
XLogP4.26
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 54.26
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(E)-hydroxyiminomethyl]-3-(4-hydroxy-3-prop-1-en-2-ylphenyl)phenol?
The IUPAC name of 2-chloro-6-[(E)-hydroxyiminomethyl]-3-(4-hydroxy-3-prop-1-en-2-ylphenyl)phenol (CID 154672863) is 2-chloro-6-[(E)-hydroxyiminomethyl]-3-(4-hydroxy-3-prop-1-en-2-ylphenyl)phenol.
What is the SMILES notation for 2-chloro-6-[(E)-hydroxyiminomethyl]-3-(4-hydroxy-3-prop-1-en-2-ylphenyl)phenol?
The canonical SMILES for 2-chloro-6-[(E)-hydroxyiminomethyl]-3-(4-hydroxy-3-prop-1-en-2-ylphenyl)phenol is C=C(C)c1cc(-c2ccc(/C=N/O)c(O)c2Cl)ccc1O.
What is the InChIKey of 2-chloro-6-[(E)-hydroxyiminomethyl]-3-(4-hydroxy-3-prop-1-en-2-ylphenyl)phenol?
The InChIKey is JLZYTUDUYJTGDE-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-9(2)13-7-10(4-6-14(13)19)12-5-3-11(8-18-21)16(20)15(12)17/h3-8,19-21H,1H2,2H3/b18-8+.
What are the key properties of 2-chloro-6-[(E)-hydroxyiminomethyl]-3-(4-hydroxy-3-prop-1-en-2-ylphenyl)phenol?
2-chloro-6-[(E)-hydroxyiminomethyl]-3-(4-hydroxy-3-prop-1-en-2-ylphenyl)phenol has a molecular weight of 303.75 g/mol, XLogP of 4.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(E)-hydroxyiminomethyl]-3-(4-hydroxy-3-prop-1-en-2-ylphenyl)phenol is sourced from PubChem (CID 154672863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).