(5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone

C17H17IO3 — CID 63490601

IUPAC(5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)c2cc(I)ccc2OC)c1
InChIInChI=1S/C17H17IO3/c1-3-9-21-14-6-4-5-12(10-14)17(19)15-11-13(18)7-8-16(15)20-2/h4-8,10-11H,3,9H2,1-2H3
InChIKeyNQSBOUMFKJMZOF-UHFFFAOYSA-N
MW396.22 g/mol
LogP4.32
Rot. Bonds6

About (5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone

(5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone (PubChem CID 63490601) has the molecular formula C17H17IO3 and a molecular weight of 396.22 g/mol. Its IUPAC name is (5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone.

Molecular Properties

Compound Name(5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone
PubChem CID63490601
Molecular FormulaC17H17IO3
Molecular Weight396.22 g/mol
Exact Mass396.02
IUPAC Name(5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)c2cc(I)ccc2OC)c1
InChIInChI=1S/C17H17IO3/c1-3-9-21-14-6-4-5-12(10-14)17(19)15-11-13(18)7-8-16(15)20-2/h4-8,10-11H,3,9H2,1-2H3
InChIKeyNQSBOUMFKJMZOF-UHFFFAOYSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.22
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-iodo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanone
CID 63490432
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
(2,5-dimethoxyphenyl)-(3-iodophenyl)methanone
CID 43337349
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
(5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 43339717
(4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone
CID 115809753
(2,4-dichlorophenyl)-(3-propoxyphenyl)methanone
CID 63492692
(2,4-difluorophenyl)-(3-propoxyphenyl)methanone
CID 62920519
4-ethoxy-3-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 46490811
(1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanone
CID 115810337
2-methoxy-5-propoxybenzoic acid
CID 82265622
(2,5-dibromothiophen-3-yl)-(3-propoxyphenyl)methanone
CID 63491827

Frequently Asked Questions

What is the IUPAC name of (5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone?
The IUPAC name of (5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone (CID 63490601) is (5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone.
What is the SMILES notation for (5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone?
The canonical SMILES for (5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone is CCCOc1cccc(C(=O)c2cc(I)ccc2OC)c1.
What is the InChIKey of (5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone?
The InChIKey is NQSBOUMFKJMZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IO3/c1-3-9-21-14-6-4-5-12(10-14)17(19)15-11-13(18)7-8-16(15)20-2/h4-8,10-11H,3,9H2,1-2H3.
What are the key properties of (5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone?
(5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone has a molecular weight of 396.22 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone is sourced from PubChem (CID 63490601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).