3-[(6-chloro-2-phenylchromen-4-ylidene)amino]phenol

C21H14ClNO2 — CID 733538

IUPAC3-[(6-chloro-2-phenylchromen-4-ylidene)amino]phenol
SMILESOc1cccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)c1
InChIInChI=1S/C21H14ClNO2/c22-15-9-10-20-18(11-15)19(23-16-7-4-8-17(24)12-16)13-21(25-20)14-5-2-1-3-6-14/h1-13,24H/b23-19+
InChIKeyCRYZQJMDRYTPOI-FCDQGJHFSA-N
MW347.80 g/mol
LogP5.69
Rot. Bonds2

About 3-[(6-chloro-2-phenylchromen-4-ylidene)amino]phenol

3-[(6-chloro-2-phenylchromen-4-ylidene)amino]phenol (PubChem CID 733538) has the molecular formula C21H14ClNO2 and a molecular weight of 347.80 g/mol. Its IUPAC name is 3-[(6-chloro-2-phenylchromen-4-ylidene)amino]phenol.

Molecular Properties

Compound Name3-[(6-chloro-2-phenylchromen-4-ylidene)amino]phenol
PubChem CID733538
Molecular FormulaC21H14ClNO2
Molecular Weight347.80 g/mol
Exact Mass347.07
IUPAC Name3-[(6-chloro-2-phenylchromen-4-ylidene)amino]phenol
SMILESOc1cccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)c1
InChIInChI=1S/C21H14ClNO2/c22-15-9-10-20-18(11-15)19(23-16-7-4-8-17(24)12-16)13-21(25-20)14-5-2-1-3-6-14/h1-13,24H/b23-19+
InChIKeyCRYZQJMDRYTPOI-FCDQGJHFSA-N
XLogP5.69
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.80
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-phenylchromen-4-ylidene)amino]phenol?
The IUPAC name of 3-[(6-chloro-2-phenylchromen-4-ylidene)amino]phenol (CID 733538) is 3-[(6-chloro-2-phenylchromen-4-ylidene)amino]phenol.
What is the SMILES notation for 3-[(6-chloro-2-phenylchromen-4-ylidene)amino]phenol?
The canonical SMILES for 3-[(6-chloro-2-phenylchromen-4-ylidene)amino]phenol is Oc1cccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)c1.
What is the InChIKey of 3-[(6-chloro-2-phenylchromen-4-ylidene)amino]phenol?
The InChIKey is CRYZQJMDRYTPOI-FCDQGJHFSA-N. The full InChI is InChI=1S/C21H14ClNO2/c22-15-9-10-20-18(11-15)19(23-16-7-4-8-17(24)12-16)13-21(25-20)14-5-2-1-3-6-14/h1-13,24H/b23-19+.
What are the key properties of 3-[(6-chloro-2-phenylchromen-4-ylidene)amino]phenol?
3-[(6-chloro-2-phenylchromen-4-ylidene)amino]phenol has a molecular weight of 347.80 g/mol, XLogP of 5.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-phenylchromen-4-ylidene)amino]phenol is sourced from PubChem (CID 733538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).