(2-chloro-3-iodo-5-methoxyphenyl)methanol

C8H8ClIO2 — CID 171003289

IUPAC(2-chloro-3-iodo-5-methoxyphenyl)methanol
SMILESCOc1cc(I)c(Cl)c(CO)c1
InChIInChI=1S/C8H8ClIO2/c1-12-6-2-5(4-11)8(9)7(10)3-6/h2-3,11H,4H2,1H3
InChIKeyOVYXRDSHTFPNKH-UHFFFAOYSA-N
MW298.51 g/mol
LogP2.45
Rot. Bonds2

About (2-chloro-3-iodo-5-methoxyphenyl)methanol

(2-chloro-3-iodo-5-methoxyphenyl)methanol (PubChem CID 171003289) has the molecular formula C8H8ClIO2 and a molecular weight of 298.51 g/mol. Its IUPAC name is (2-chloro-3-iodo-5-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-3-iodo-5-methoxyphenyl)methanol
PubChem CID171003289
Molecular FormulaC8H8ClIO2
Molecular Weight298.51 g/mol
Exact Mass297.93
IUPAC Name(2-chloro-3-iodo-5-methoxyphenyl)methanol
SMILESCOc1cc(I)c(Cl)c(CO)c1
InChIInChI=1S/C8H8ClIO2/c1-12-6-2-5(4-11)8(9)7(10)3-6/h2-3,11H,4H2,1H3
InChIKeyOVYXRDSHTFPNKH-UHFFFAOYSA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-iodo-5-methoxyphenyl)methanol?
The IUPAC name of (2-chloro-3-iodo-5-methoxyphenyl)methanol (CID 171003289) is (2-chloro-3-iodo-5-methoxyphenyl)methanol.
What is the SMILES notation for (2-chloro-3-iodo-5-methoxyphenyl)methanol?
The canonical SMILES for (2-chloro-3-iodo-5-methoxyphenyl)methanol is COc1cc(I)c(Cl)c(CO)c1.
What is the InChIKey of (2-chloro-3-iodo-5-methoxyphenyl)methanol?
The InChIKey is OVYXRDSHTFPNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClIO2/c1-12-6-2-5(4-11)8(9)7(10)3-6/h2-3,11H,4H2,1H3.
What are the key properties of (2-chloro-3-iodo-5-methoxyphenyl)methanol?
(2-chloro-3-iodo-5-methoxyphenyl)methanol has a molecular weight of 298.51 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-iodo-5-methoxyphenyl)methanol is sourced from PubChem (CID 171003289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).