(3-ethyl-5-iodophenyl)methanol

C9H11IO — CID 118268844

IUPAC(3-ethyl-5-iodophenyl)methanol
SMILESCCc1cc(I)cc(CO)c1
InChIInChI=1S/C9H11IO/c1-2-7-3-8(6-11)5-9(10)4-7/h3-5,11H,2,6H2,1H3
InChIKeyROIZTMWOILNQNG-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.35
Rot. Bonds2

About (3-ethyl-5-iodophenyl)methanol

(3-ethyl-5-iodophenyl)methanol (PubChem CID 118268844) has the molecular formula C9H11IO and a molecular weight of 262.09 g/mol. Its IUPAC name is (3-ethyl-5-iodophenyl)methanol.

Molecular Properties

Compound Name(3-ethyl-5-iodophenyl)methanol
PubChem CID118268844
Molecular FormulaC9H11IO
Molecular Weight262.09 g/mol
Exact Mass261.99
IUPAC Name(3-ethyl-5-iodophenyl)methanol
SMILESCCc1cc(I)cc(CO)c1
InChIInChI=1S/C9H11IO/c1-2-7-3-8(6-11)5-9(10)4-7/h3-5,11H,2,6H2,1H3
InChIKeyROIZTMWOILNQNG-UHFFFAOYSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-aminobutyl)-5-ethylphenyl]methanol
CID 70653560
1-(3-bromopropyl)-3-ethyl-5-iodobenzene
CID 118841461
(3,5-dipropylphenyl)methanol
CID 23592581
3-(hydroxymethyl)-5-iodobenzonitrile
CID 118268864
1-ethyl-3-iodo-5-(trifluoromethyl)benzene
CID 154475261
lithium;hydride;1,3,5-triethylbenzene
CID 174873379
(3-ethylbenzene-5-id-1-yl)methanol;tungsten;yttrium
CID 161087005
(3-fluoro-5-iodophenyl)methanol;methyl 3-fluoro-5-iodobenzoate
CID 118049798
5-ethyl-1,2,3-triiodobenzene
CID 70822750
(3,4,5-triiodophenyl)methanol
CID 53401071
[3-[1-[3,5-bis(hydroxymethyl)phenyl]ethyl]-5-(hydroxymethyl)phenyl]methanol;ethane
CID 142281106
(5-ethyl-2,3-difluorophenyl)methanol
CID 117276930

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-iodophenyl)methanol?
The IUPAC name of (3-ethyl-5-iodophenyl)methanol (CID 118268844) is (3-ethyl-5-iodophenyl)methanol.
What is the SMILES notation for (3-ethyl-5-iodophenyl)methanol?
The canonical SMILES for (3-ethyl-5-iodophenyl)methanol is CCc1cc(I)cc(CO)c1.
What is the InChIKey of (3-ethyl-5-iodophenyl)methanol?
The InChIKey is ROIZTMWOILNQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IO/c1-2-7-3-8(6-11)5-9(10)4-7/h3-5,11H,2,6H2,1H3.
What are the key properties of (3-ethyl-5-iodophenyl)methanol?
(3-ethyl-5-iodophenyl)methanol has a molecular weight of 262.09 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-iodophenyl)methanol is sourced from PubChem (CID 118268844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).