(4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone

C14H10FIO2 — CID 114029861

IUPAC(4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(F)cc2I)c1
InChIInChI=1S/C14H10FIO2/c1-18-11-4-2-3-9(7-11)14(17)12-6-5-10(15)8-13(12)16/h2-8H,1H3
InChIKeyDQAPJCQMPFFIHE-UHFFFAOYSA-N
MW356.13 g/mol
LogP3.67
Rot. Bonds3

About (4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone

(4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone (PubChem CID 114029861) has the molecular formula C14H10FIO2 and a molecular weight of 356.13 g/mol. Its IUPAC name is (4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone
PubChem CID114029861
Molecular FormulaC14H10FIO2
Molecular Weight356.13 g/mol
Exact Mass355.97
IUPAC Name(4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(F)cc2I)c1
InChIInChI=1S/C14H10FIO2/c1-18-11-4-2-3-9(7-11)14(17)12-6-5-10(15)8-13(12)16/h2-8H,1H3
InChIKeyDQAPJCQMPFFIHE-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.13
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone
CID 114962473
(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 22229235
(4-fluoro-3,5-dimethylphenyl)-(4-fluoro-2-iodophenyl)methanone
CID 114029200
(5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
CID 115766377
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 114962459
(2-ethoxyphenyl)-(3-methoxyphenyl)methanone
CID 62802553
(2,4-difluorophenyl)-(3-propoxyphenyl)methanone
CID 62920519
2,2-difluoro-1-(3-methoxyphenyl)ethanone
CID 91636166
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone?
The IUPAC name of (4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone (CID 114029861) is (4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2ccc(F)cc2I)c1.
What is the InChIKey of (4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone?
The InChIKey is DQAPJCQMPFFIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FIO2/c1-18-11-4-2-3-9(7-11)14(17)12-6-5-10(15)8-13(12)16/h2-8H,1H3.
What are the key properties of (4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone?
(4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone has a molecular weight of 356.13 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 114029861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).