(4-ethoxyphenyl)-(2-iodophenyl)methanol

C15H15IO2 — CID 61100042

IUPAC(4-ethoxyphenyl)-(2-iodophenyl)methanol
SMILESCCOc1ccc(C(O)c2ccccc2I)cc1
InChIInChI=1S/C15H15IO2/c1-2-18-12-9-7-11(8-10-12)15(17)13-5-3-4-6-14(13)16/h3-10,15,17H,2H2,1H3
InChIKeyGELPTJKBGCHQOW-UHFFFAOYSA-N
MW354.19 g/mol
LogP3.77
Rot. Bonds4

About (4-ethoxyphenyl)-(2-iodophenyl)methanol

(4-ethoxyphenyl)-(2-iodophenyl)methanol (PubChem CID 61100042) has the molecular formula C15H15IO2 and a molecular weight of 354.19 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(2-iodophenyl)methanol.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(2-iodophenyl)methanol
PubChem CID61100042
Molecular FormulaC15H15IO2
Molecular Weight354.19 g/mol
Exact Mass354.01
IUPAC Name(4-ethoxyphenyl)-(2-iodophenyl)methanol
SMILESCCOc1ccc(C(O)c2ccccc2I)cc1
InChIInChI=1S/C15H15IO2/c1-2-18-12-9-7-11(8-10-12)15(17)13-5-3-4-6-14(13)16/h3-10,15,17H,2H2,1H3
InChIKeyGELPTJKBGCHQOW-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.77
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

(4-ethoxyphenyl)-(2-iodophenyl)methanamine
CID 43197172
(3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol
CID 104661098
(2-iodophenyl)-(4-propan-2-ylphenyl)methanol
CID 61082573
(2,3-dimethylphenyl)-(4-ethoxyphenyl)methanol
CID 61100219
(4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477516
(4-ethoxyphenyl)-(2-methoxy-3-pyridinyl)methanol
CID 115605144
(2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol
CID 106855309
(5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol
CID 61081064
(2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol
CID 61100563
(3,4-dimethylphenyl)-(2-iodophenyl)methanol
CID 61101353
(3-ethylphenyl)-(2-iodophenyl)methanol
CID 115823914
amino-(4-ethoxyphenyl)methanol
CID 116939610

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(2-iodophenyl)methanol?
The IUPAC name of (4-ethoxyphenyl)-(2-iodophenyl)methanol (CID 61100042) is (4-ethoxyphenyl)-(2-iodophenyl)methanol.
What is the SMILES notation for (4-ethoxyphenyl)-(2-iodophenyl)methanol?
The canonical SMILES for (4-ethoxyphenyl)-(2-iodophenyl)methanol is CCOc1ccc(C(O)c2ccccc2I)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(2-iodophenyl)methanol?
The InChIKey is GELPTJKBGCHQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IO2/c1-2-18-12-9-7-11(8-10-12)15(17)13-5-3-4-6-14(13)16/h3-10,15,17H,2H2,1H3.
What are the key properties of (4-ethoxyphenyl)-(2-iodophenyl)methanol?
(4-ethoxyphenyl)-(2-iodophenyl)methanol has a molecular weight of 354.19 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(2-iodophenyl)methanol is sourced from PubChem (CID 61100042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).