3-[(3,5-dichlorophenyl)iminomethyl]-5-(4-methylphenyl)furan-2-ol

C18H13Cl2NO2 — CID 139052395

IUPAC3-[(3,5-dichlorophenyl)iminomethyl]-5-(4-methylphenyl)furan-2-ol
SMILESCc1ccc(-c2cc(/C=N/c3cc(Cl)cc(Cl)c3)c(O)o2)cc1
InChIInChI=1S/C18H13Cl2NO2/c1-11-2-4-12(5-3-11)17-6-13(18(22)23-17)10-21-16-8-14(19)7-15(20)9-16/h2-10,22H,1H3/b21-10+
InChIKeyDHTNCTLSFFUNOE-UFFVCSGVSA-N
MW346.21 g/mol
LogP6.02
Rot. Bonds3

About 3-[(3,5-dichlorophenyl)iminomethyl]-5-(4-methylphenyl)furan-2-ol

3-[(3,5-dichlorophenyl)iminomethyl]-5-(4-methylphenyl)furan-2-ol (PubChem CID 139052395) has the molecular formula C18H13Cl2NO2 and a molecular weight of 346.21 g/mol. Its IUPAC name is 3-[(3,5-dichlorophenyl)iminomethyl]-5-(4-methylphenyl)furan-2-ol.

Molecular Properties

Compound Name3-[(3,5-dichlorophenyl)iminomethyl]-5-(4-methylphenyl)furan-2-ol
PubChem CID139052395
Molecular FormulaC18H13Cl2NO2
Molecular Weight346.21 g/mol
Exact Mass345.03
IUPAC Name3-[(3,5-dichlorophenyl)iminomethyl]-5-(4-methylphenyl)furan-2-ol
SMILESCc1ccc(-c2cc(/C=N/c3cc(Cl)cc(Cl)c3)c(O)o2)cc1
InChIInChI=1S/C18H13Cl2NO2/c1-11-2-4-12(5-3-11)17-6-13(18(22)23-17)10-21-16-8-14(19)7-15(20)9-16/h2-10,22H,1H3/b21-10+
InChIKeyDHTNCTLSFFUNOE-UFFVCSGVSA-N
XLogP6.02
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.21
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-Dichloroanilino)methylidene]-5-(furan-2-yl)cyclohexane-1,3-dione
CID 135447037
4-chloro-2-({(E)-1-[5-(4-fluorophenyl)-2-furyl]methylidene}amino)phenol
CID 5079878
4-{(1E)-2-[5-(4-chlorophenyl)(2-furyl)]-1-azavinyl}benzoic acid
CID 686512
(3Z)-3-(anilinomethylidene)-5-phenylfuran-2-one
CID 762469
2-{[5-(4-Chlorophenyl)furan-2-yl]methyleneamino}phenol
CID 867352
(Z)-5-(4-Bromophenyl)-3-{[(3,5-dichlorophenyl)amino]methylidene}furan-2(3H)-one
CID 168306592
5-(5-{(E)-[(3-chloro-4-fluorophenyl)imino]methyl}furan-2-yl)-2-methylbenzoic acid
CID 1279985
4-[[2-[(3-Chloro-4-fluorophenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 125968383
4-[5-[(3-Chloro-4-fluorophenyl)iminomethyl]furan-2-yl]-3-methylbenzoic acid
CID 125969975
N-(3-chloro-4-fluorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine
CID 126016950
N-(3-chlorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine
CID 126017607
N-(3-chloro-4-methylphenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine
CID 126018045

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichlorophenyl)iminomethyl]-5-(4-methylphenyl)furan-2-ol?
The IUPAC name of 3-[(3,5-dichlorophenyl)iminomethyl]-5-(4-methylphenyl)furan-2-ol (CID 139052395) is 3-[(3,5-dichlorophenyl)iminomethyl]-5-(4-methylphenyl)furan-2-ol.
What is the SMILES notation for 3-[(3,5-dichlorophenyl)iminomethyl]-5-(4-methylphenyl)furan-2-ol?
The canonical SMILES for 3-[(3,5-dichlorophenyl)iminomethyl]-5-(4-methylphenyl)furan-2-ol is Cc1ccc(-c2cc(/C=N/c3cc(Cl)cc(Cl)c3)c(O)o2)cc1.
What is the InChIKey of 3-[(3,5-dichlorophenyl)iminomethyl]-5-(4-methylphenyl)furan-2-ol?
The InChIKey is DHTNCTLSFFUNOE-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H13Cl2NO2/c1-11-2-4-12(5-3-11)17-6-13(18(22)23-17)10-21-16-8-14(19)7-15(20)9-16/h2-10,22H,1H3/b21-10+.
What are the key properties of 3-[(3,5-dichlorophenyl)iminomethyl]-5-(4-methylphenyl)furan-2-ol?
3-[(3,5-dichlorophenyl)iminomethyl]-5-(4-methylphenyl)furan-2-ol has a molecular weight of 346.21 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichlorophenyl)iminomethyl]-5-(4-methylphenyl)furan-2-ol is sourced from PubChem (CID 139052395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).