[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol

C14H9ClINO2 — CID 91681454

IUPAC[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol
SMILESOCc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1
InChIInChI=1S/C14H9ClINO2/c15-11-3-2-9(16)6-10(11)14-17-12-5-8(7-18)1-4-13(12)19-14/h1-6,18H,7H2
InChIKeySKROEZXDHMAHQX-UHFFFAOYSA-N
MW385.59 g/mol
LogP4.25
Rot. Bonds2

About [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol

[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol (PubChem CID 91681454) has the molecular formula C14H9ClINO2 and a molecular weight of 385.59 g/mol. Its IUPAC name is [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol
PubChem CID91681454
Molecular FormulaC14H9ClINO2
Molecular Weight385.59 g/mol
Exact Mass384.94
IUPAC Name[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol
SMILESOCc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1
InChIInChI=1S/C14H9ClINO2/c15-11-3-2-9(16)6-10(11)14-17-12-5-8(7-18)1-4-13(12)19-14/h1-6,18H,7H2
InChIKeySKROEZXDHMAHQX-UHFFFAOYSA-N
XLogP4.25
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.59
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol
CID 82357851
2-(2-chloro-5-iodophenyl)-1,3-benzoxazole-5-carbaldehyde
CID 91681455
[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol
CID 82357845
5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
CID 95911053
N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 43914043
5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole
CID 169336838
[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol
CID 83949668
methyl 4-[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168564443
[2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol
CID 82357873
N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
CID 23994777
N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-1-[5-(3,4-dichlorophenyl)furan-2-yl]methanimine
CID 171982573
(2-fluoro-1,3-benzoxazol-5-yl)methanol
CID 131118958

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol?
The IUPAC name of [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol (CID 91681454) is [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol.
What is the SMILES notation for [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol?
The canonical SMILES for [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol is OCc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1.
What is the InChIKey of [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol?
The InChIKey is SKROEZXDHMAHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClINO2/c15-11-3-2-9(16)6-10(11)14-17-12-5-8(7-18)1-4-13(12)19-14/h1-6,18H,7H2.
What are the key properties of [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol?
[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol has a molecular weight of 385.59 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol is sourced from PubChem (CID 91681454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).