1-chloro-5-phenylisoquinolin-4-ol

C15H10ClNO — CID 141275258

IUPAC1-chloro-5-phenylisoquinolin-4-ol
SMILESOc1cnc(Cl)c2cccc(-c3ccccc3)c12
InChIInChI=1S/C15H10ClNO/c16-15-12-8-4-7-11(10-5-2-1-3-6-10)14(12)13(18)9-17-15/h1-9,18H
InChIKeyHHFCMNDHEAKHBX-UHFFFAOYSA-N
MW255.70 g/mol
LogP4.26
Rot. Bonds1

About 1-chloro-5-phenylisoquinolin-4-ol

1-chloro-5-phenylisoquinolin-4-ol (PubChem CID 141275258) has the molecular formula C15H10ClNO and a molecular weight of 255.70 g/mol. Its IUPAC name is 1-chloro-5-phenylisoquinolin-4-ol.

Molecular Properties

Compound Name1-chloro-5-phenylisoquinolin-4-ol
PubChem CID141275258
Molecular FormulaC15H10ClNO
Molecular Weight255.70 g/mol
Exact Mass255.05
IUPAC Name1-chloro-5-phenylisoquinolin-4-ol
SMILESOc1cnc(Cl)c2cccc(-c3ccccc3)c12
InChIInChI=1S/C15H10ClNO/c16-15-12-8-4-7-11(10-5-2-1-3-6-10)14(12)13(18)9-17-15/h1-9,18H
InChIKeyHHFCMNDHEAKHBX-UHFFFAOYSA-N
XLogP4.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-phenylisoquinolin-4-ol
CID 150358431
5-chloro-8-phenylpyrido[3,4-d]pyridazine
CID 14241246
4-chloro-5-phenylpyridin-3-ol
CID 118828139
2-(2-phenylphenyl)benzene-1,3-diol
CID 66853518
chlorobenzene;2-phenylphenol
CID 161060319
1,5-dichloroisoquinoline-4-carboxylic acid
CID 84703045
6-chloro-5-phenylpyridine-3-carbonyl chloride
CID 133097760
4-chloro-8-phenylquinolin-3-amine
CID 102614156
5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine
CID 140968105
4-(9,10-diphenylanthracen-1-yl)phenol
CID 150494593
4-bromo-1-chloro-5-phenylnaphthalene
CID 171751461
butyl 1-chloro-4-hydroxy-5-phenylisoquinoline-3-carboxylate
CID 86014617

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-phenylisoquinolin-4-ol?
The IUPAC name of 1-chloro-5-phenylisoquinolin-4-ol (CID 141275258) is 1-chloro-5-phenylisoquinolin-4-ol.
What is the SMILES notation for 1-chloro-5-phenylisoquinolin-4-ol?
The canonical SMILES for 1-chloro-5-phenylisoquinolin-4-ol is Oc1cnc(Cl)c2cccc(-c3ccccc3)c12.
What is the InChIKey of 1-chloro-5-phenylisoquinolin-4-ol?
The InChIKey is HHFCMNDHEAKHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO/c16-15-12-8-4-7-11(10-5-2-1-3-6-10)14(12)13(18)9-17-15/h1-9,18H.
What are the key properties of 1-chloro-5-phenylisoquinolin-4-ol?
1-chloro-5-phenylisoquinolin-4-ol has a molecular weight of 255.70 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-phenylisoquinolin-4-ol is sourced from PubChem (CID 141275258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).