4-chloro-2-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]phenol

C16H14ClNO2 — CID 139214741

IUPAC4-chloro-2-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]phenol
SMILESCOc1ccccc1/C=C/C=N/c1cc(Cl)ccc1O
InChIInChI=1S/C16H14ClNO2/c1-20-16-7-3-2-5-12(16)6-4-10-18-14-11-13(17)8-9-15(14)19/h2-11,19H,1H3/b6-4+,18-10+
InChIKeyCBDGDDUKGHTZGS-SRFURKKRSA-N
MW287.75 g/mol
LogP4.47
Rot. Bonds4

About 4-chloro-2-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]phenol

4-chloro-2-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]phenol (PubChem CID 139214741) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-chloro-2-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]phenol.

Molecular Properties

Compound Name4-chloro-2-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]phenol
PubChem CID139214741
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name4-chloro-2-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]phenol
SMILESCOc1ccccc1/C=C/C=N/c1cc(Cl)ccc1O
InChIInChI=1S/C16H14ClNO2/c1-20-16-7-3-2-5-12(16)6-4-10-18-14-11-13(17)8-9-15(14)19/h2-11,19H,1H3/b6-4+,18-10+
InChIKeyCBDGDDUKGHTZGS-SRFURKKRSA-N
XLogP4.47
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]phenol?
The IUPAC name of 4-chloro-2-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]phenol (CID 139214741) is 4-chloro-2-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]phenol.
What is the SMILES notation for 4-chloro-2-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]phenol?
The canonical SMILES for 4-chloro-2-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]phenol is COc1ccccc1/C=C/C=N/c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]phenol?
The InChIKey is CBDGDDUKGHTZGS-SRFURKKRSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-20-16-7-3-2-5-12(16)6-4-10-18-14-11-13(17)8-9-15(14)19/h2-11,19H,1H3/b6-4+,18-10+.
What are the key properties of 4-chloro-2-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]phenol?
4-chloro-2-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]phenol has a molecular weight of 287.75 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]phenol is sourced from PubChem (CID 139214741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).