4-[4-(4-methoxyphenyl)iminochromen-2-yl]phenol;hydrochloride

C22H18ClNO3 — CID 135401239

IUPAC4-[4-(4-methoxyphenyl)iminochromen-2-yl]phenol;hydrochloride
SMILESCOc1ccc(/N=c2\cc(-c3ccc(O)cc3)oc3ccccc23)cc1.Cl
InChIInChI=1S/C22H17NO3.ClH/c1-25-18-12-8-16(9-13-18)23-20-14-22(15-6-10-17(24)11-7-15)26-21-5-3-2-4-19(20)21;/h2-14,24H,1H3;1H/b23-20+;
InChIKeyYZQNGERGMLEABN-NMSJBYGBSA-N
MW379.84 g/mol
LogP5.47
Rot. Bonds3

About 4-[4-(4-methoxyphenyl)iminochromen-2-yl]phenol;hydrochloride

4-[4-(4-methoxyphenyl)iminochromen-2-yl]phenol;hydrochloride (PubChem CID 135401239) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)iminochromen-2-yl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)iminochromen-2-yl]phenol;hydrochloride
PubChem CID135401239
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC Name4-[4-(4-methoxyphenyl)iminochromen-2-yl]phenol;hydrochloride
SMILESCOc1ccc(/N=c2\cc(-c3ccc(O)cc3)oc3ccccc23)cc1.Cl
InChIInChI=1S/C22H17NO3.ClH/c1-25-18-12-8-16(9-13-18)23-20-14-22(15-6-10-17(24)11-7-15)26-21-5-3-2-4-19(20)21;/h2-14,24H,1H3;1H/b23-20+;
InChIKeyYZQNGERGMLEABN-NMSJBYGBSA-N
XLogP5.47
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.84
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)iminochromen-2-yl]phenol;hydrochloride?
The IUPAC name of 4-[4-(4-methoxyphenyl)iminochromen-2-yl]phenol;hydrochloride (CID 135401239) is 4-[4-(4-methoxyphenyl)iminochromen-2-yl]phenol;hydrochloride.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)iminochromen-2-yl]phenol;hydrochloride?
The canonical SMILES for 4-[4-(4-methoxyphenyl)iminochromen-2-yl]phenol;hydrochloride is COc1ccc(/N=c2\cc(-c3ccc(O)cc3)oc3ccccc23)cc1.Cl.
What is the InChIKey of 4-[4-(4-methoxyphenyl)iminochromen-2-yl]phenol;hydrochloride?
The InChIKey is YZQNGERGMLEABN-NMSJBYGBSA-N. The full InChI is InChI=1S/C22H17NO3.ClH/c1-25-18-12-8-16(9-13-18)23-20-14-22(15-6-10-17(24)11-7-15)26-21-5-3-2-4-19(20)21;/h2-14,24H,1H3;1H/b23-20+;.
What are the key properties of 4-[4-(4-methoxyphenyl)iminochromen-2-yl]phenol;hydrochloride?
4-[4-(4-methoxyphenyl)iminochromen-2-yl]phenol;hydrochloride has a molecular weight of 379.84 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)iminochromen-2-yl]phenol;hydrochloride is sourced from PubChem (CID 135401239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).