(2-ethyl-6-iodophenyl)methanediol

C9H11IO2 — CID 156529935

IUPAC(2-ethyl-6-iodophenyl)methanediol
SMILESCCc1cccc(I)c1C(O)O
InChIInChI=1S/C9H11IO2/c1-2-6-4-3-5-7(10)8(6)9(11)12/h3-5,9,11-12H,2H2,1H3
InChIKeyMGGVQFZWKCPERH-UHFFFAOYSA-N
MW278.09 g/mol
LogP1.84
Rot. Bonds2

About (2-ethyl-6-iodophenyl)methanediol

(2-ethyl-6-iodophenyl)methanediol (PubChem CID 156529935) has the molecular formula C9H11IO2 and a molecular weight of 278.09 g/mol. Its IUPAC name is (2-ethyl-6-iodophenyl)methanediol.

Molecular Properties

Compound Name(2-ethyl-6-iodophenyl)methanediol
PubChem CID156529935
Molecular FormulaC9H11IO2
Molecular Weight278.09 g/mol
Exact Mass277.98
IUPAC Name(2-ethyl-6-iodophenyl)methanediol
SMILESCCc1cccc(I)c1C(O)O
InChIInChI=1S/C9H11IO2/c1-2-6-4-3-5-7(10)8(6)9(11)12/h3-5,9,11-12H,2H2,1H3
InChIKeyMGGVQFZWKCPERH-UHFFFAOYSA-N
XLogP1.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,3-diethyl-2-iodobenzene
CID 18690512
bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)
CID 159950653
2-tert-butyl-1-ethyl-3-iodobenzene
CID 146636701
acetic acid;1,3-diethyl-2-iodobenzene
CID 175748733
2-chloro-2-(2,6-diethylphenyl)acetamide
CID 70479437
(1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol
CID 130692242
1-(3-ethyl-2-iodophenyl)propan-2-one
CID 118824514
1-(2,3-diiodophenyl)propan-2-one
CID 118847001
bis(2,6-diethylphenol);1,4-xylene
CID 160641052
N-[(2-ethylphenyl)methyl]-3-iodo-2-methylaniline
CID 114256925
2-(2-ethyl-6-methylphenyl)-3,3-dimethylbutanamide
CID 86618512
(2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride
CID 162344777

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-6-iodophenyl)methanediol?
The IUPAC name of (2-ethyl-6-iodophenyl)methanediol (CID 156529935) is (2-ethyl-6-iodophenyl)methanediol.
What is the SMILES notation for (2-ethyl-6-iodophenyl)methanediol?
The canonical SMILES for (2-ethyl-6-iodophenyl)methanediol is CCc1cccc(I)c1C(O)O.
What is the InChIKey of (2-ethyl-6-iodophenyl)methanediol?
The InChIKey is MGGVQFZWKCPERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IO2/c1-2-6-4-3-5-7(10)8(6)9(11)12/h3-5,9,11-12H,2H2,1H3.
What are the key properties of (2-ethyl-6-iodophenyl)methanediol?
(2-ethyl-6-iodophenyl)methanediol has a molecular weight of 278.09 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-6-iodophenyl)methanediol is sourced from PubChem (CID 156529935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).