(4-iodophenyl)-quinolin-5-ylmethanol

C16H12INO — CID 115826358

IUPAC(4-iodophenyl)-quinolin-5-ylmethanol
SMILESOC(c1ccc(I)cc1)c1cccc2ncccc12
InChIInChI=1S/C16H12INO/c17-12-8-6-11(7-9-12)16(19)14-3-1-5-15-13(14)4-2-10-18-15/h1-10,16,19H
InChIKeyRQOZFZHIHLTVFV-UHFFFAOYSA-N
MW361.18 g/mol
LogP3.92
Rot. Bonds2

About (4-iodophenyl)-quinolin-5-ylmethanol

(4-iodophenyl)-quinolin-5-ylmethanol (PubChem CID 115826358) has the molecular formula C16H12INO and a molecular weight of 361.18 g/mol. Its IUPAC name is (4-iodophenyl)-quinolin-5-ylmethanol.

Molecular Properties

Compound Name(4-iodophenyl)-quinolin-5-ylmethanol
PubChem CID115826358
Molecular FormulaC16H12INO
Molecular Weight361.18 g/mol
Exact Mass361.00
IUPAC Name(4-iodophenyl)-quinolin-5-ylmethanol
SMILESOC(c1ccc(I)cc1)c1cccc2ncccc12
InChIInChI=1S/C16H12INO/c17-12-8-6-11(7-9-12)16(19)14-3-1-5-15-13(14)4-2-10-18-15/h1-10,16,19H
InChIKeyRQOZFZHIHLTVFV-UHFFFAOYSA-N
XLogP3.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dibromophenyl)-quinolin-5-ylmethanol
CID 107978579
(1R)-1-quinolin-5-ylethanol
CID 86326294
quinolin-5-yl(1,3-thiazol-5-yl)methanol
CID 81220526
5-(1-iodoethyl)quinoline
CID 130224458
(4-methoxyphenyl)-quinolin-4-ylmethanol
CID 63893984
CID 158967293
CID 158967293
(3-methoxy-4-pyridinyl)-quinolin-5-ylmethanol
CID 105066393
(5-methylpyrazin-2-yl)-quinolin-5-ylmethanol
CID 105118175
(5-methyl-2-pyridinyl)-quinolin-5-ylmethanol
CID 81318739
quinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol
CID 115826290
1-benzothiophen-3-yl(quinolin-5-yl)methanol
CID 78917707
(1R)-1-quinolin-5-ylethanamine
CID 55277010

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)-quinolin-5-ylmethanol?
The IUPAC name of (4-iodophenyl)-quinolin-5-ylmethanol (CID 115826358) is (4-iodophenyl)-quinolin-5-ylmethanol.
What is the SMILES notation for (4-iodophenyl)-quinolin-5-ylmethanol?
The canonical SMILES for (4-iodophenyl)-quinolin-5-ylmethanol is OC(c1ccc(I)cc1)c1cccc2ncccc12.
What is the InChIKey of (4-iodophenyl)-quinolin-5-ylmethanol?
The InChIKey is RQOZFZHIHLTVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12INO/c17-12-8-6-11(7-9-12)16(19)14-3-1-5-15-13(14)4-2-10-18-15/h1-10,16,19H.
What are the key properties of (4-iodophenyl)-quinolin-5-ylmethanol?
(4-iodophenyl)-quinolin-5-ylmethanol has a molecular weight of 361.18 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)-quinolin-5-ylmethanol is sourced from PubChem (CID 115826358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).