2-[(3-chlorophenyl)methyliminomethyl]phenol

C14H12ClNO — CID 135629536

IUPAC2-[(3-chlorophenyl)methyliminomethyl]phenol
SMILESOc1ccccc1/C=N/Cc1cccc(Cl)c1
InChIInChI=1S/C14H12ClNO/c15-13-6-3-4-11(8-13)9-16-10-12-5-1-2-7-14(12)17/h1-8,10,17H,9H2/b16-10+
InChIKeyDOVFWSZIPVTCSM-MHWRWJLKSA-N
MW245.71 g/mol
LogP3.66
Rot. Bonds3

About 2-[(3-chlorophenyl)methyliminomethyl]phenol

2-[(3-chlorophenyl)methyliminomethyl]phenol (PubChem CID 135629536) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyliminomethyl]phenol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyliminomethyl]phenol
PubChem CID135629536
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name2-[(3-chlorophenyl)methyliminomethyl]phenol
SMILESOc1ccccc1/C=N/Cc1cccc(Cl)c1
InChIInChI=1S/C14H12ClNO/c15-13-6-3-4-11(8-13)9-16-10-12-5-1-2-7-14(12)17/h1-8,10,17H,9H2/b16-10+
InChIKeyDOVFWSZIPVTCSM-MHWRWJLKSA-N
XLogP3.66
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol
CID 135595429
2-(benzyliminomethyl)-6-chlorophenol
CID 165349196
2-[(4-methylphenyl)methyliminomethyl]phenol
CID 135657309
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
3-(benzyliminomethyl)-4-hydroxybenzenesulfonic acid
CID 139241232
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol
CID 135757817
4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135829042
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyliminomethyl]phenol?
The IUPAC name of 2-[(3-chlorophenyl)methyliminomethyl]phenol (CID 135629536) is 2-[(3-chlorophenyl)methyliminomethyl]phenol.
What is the SMILES notation for 2-[(3-chlorophenyl)methyliminomethyl]phenol?
The canonical SMILES for 2-[(3-chlorophenyl)methyliminomethyl]phenol is Oc1ccccc1/C=N/Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyliminomethyl]phenol?
The InChIKey is DOVFWSZIPVTCSM-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H12ClNO/c15-13-6-3-4-11(8-13)9-16-10-12-5-1-2-7-14(12)17/h1-8,10,17H,9H2/b16-10+.
What are the key properties of 2-[(3-chlorophenyl)methyliminomethyl]phenol?
2-[(3-chlorophenyl)methyliminomethyl]phenol has a molecular weight of 245.71 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyliminomethyl]phenol is sourced from PubChem (CID 135629536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).