4-[6-chloro-4-(3,4-dimethylphenyl)iminochromen-2-yl]phenol

C23H18ClNO2 — CID 171976908

IUPAC4-[6-chloro-4-(3,4-dimethylphenyl)iminochromen-2-yl]phenol
SMILESCc1ccc(/N=c2\cc(-c3ccc(O)cc3)oc3ccc(Cl)cc23)cc1C
InChIInChI=1S/C23H18ClNO2/c1-14-3-7-18(11-15(14)2)25-21-13-23(16-4-8-19(26)9-5-16)27-22-10-6-17(24)12-20(21)22/h3-13,26H,1-2H3/b25-21+
InChIKeyRNFOMZGJYYURPJ-NJNXFGOHSA-N
MW375.86 g/mol
LogP6.31
Rot. Bonds2

About 4-[6-chloro-4-(3,4-dimethylphenyl)iminochromen-2-yl]phenol

4-[6-chloro-4-(3,4-dimethylphenyl)iminochromen-2-yl]phenol (PubChem CID 171976908) has the molecular formula C23H18ClNO2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 4-[6-chloro-4-(3,4-dimethylphenyl)iminochromen-2-yl]phenol.

Molecular Properties

Compound Name4-[6-chloro-4-(3,4-dimethylphenyl)iminochromen-2-yl]phenol
PubChem CID171976908
Molecular FormulaC23H18ClNO2
Molecular Weight375.86 g/mol
Exact Mass375.10
IUPAC Name4-[6-chloro-4-(3,4-dimethylphenyl)iminochromen-2-yl]phenol
SMILESCc1ccc(/N=c2\cc(-c3ccc(O)cc3)oc3ccc(Cl)cc23)cc1C
InChIInChI=1S/C23H18ClNO2/c1-14-3-7-18(11-15(14)2)25-21-13-23(16-4-8-19(26)9-5-16)27-22-10-6-17(24)12-20(21)22/h3-13,26H,1-2H3/b25-21+
InChIKeyRNFOMZGJYYURPJ-NJNXFGOHSA-N
XLogP6.31
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-4-(3,4-dimethylphenyl)iminochromen-2-yl]phenol?
The IUPAC name of 4-[6-chloro-4-(3,4-dimethylphenyl)iminochromen-2-yl]phenol (CID 171976908) is 4-[6-chloro-4-(3,4-dimethylphenyl)iminochromen-2-yl]phenol.
What is the SMILES notation for 4-[6-chloro-4-(3,4-dimethylphenyl)iminochromen-2-yl]phenol?
The canonical SMILES for 4-[6-chloro-4-(3,4-dimethylphenyl)iminochromen-2-yl]phenol is Cc1ccc(/N=c2\cc(-c3ccc(O)cc3)oc3ccc(Cl)cc23)cc1C.
What is the InChIKey of 4-[6-chloro-4-(3,4-dimethylphenyl)iminochromen-2-yl]phenol?
The InChIKey is RNFOMZGJYYURPJ-NJNXFGOHSA-N. The full InChI is InChI=1S/C23H18ClNO2/c1-14-3-7-18(11-15(14)2)25-21-13-23(16-4-8-19(26)9-5-16)27-22-10-6-17(24)12-20(21)22/h3-13,26H,1-2H3/b25-21+.
What are the key properties of 4-[6-chloro-4-(3,4-dimethylphenyl)iminochromen-2-yl]phenol?
4-[6-chloro-4-(3,4-dimethylphenyl)iminochromen-2-yl]phenol has a molecular weight of 375.86 g/mol, XLogP of 6.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-4-(3,4-dimethylphenyl)iminochromen-2-yl]phenol is sourced from PubChem (CID 171976908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).