(3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone

C15H20INO4 — CID 126375071

IUPAC(3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone
SMILESCCCOc1c(I)cc(C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C15H20INO4/c1-3-6-21-14-12(16)9-11(10-13(14)19-2)15(18)17-4-7-20-8-5-17/h9-10H,3-8H2,1-2H3
InChIKeyQSXFDKZSRWCQRC-UHFFFAOYSA-N
MW405.23 g/mol
LogP2.56
Rot. Bonds5

About (3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone

(3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone (PubChem CID 126375071) has the molecular formula C15H20INO4 and a molecular weight of 405.23 g/mol. Its IUPAC name is (3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone
PubChem CID126375071
Molecular FormulaC15H20INO4
Molecular Weight405.23 g/mol
Exact Mass405.04
IUPAC Name(3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone
SMILESCCCOc1c(I)cc(C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C15H20INO4/c1-3-6-21-14-12(16)9-11(10-13(14)19-2)15(18)17-4-7-20-8-5-17/h9-10H,3-8H2,1-2H3
InChIKeyQSXFDKZSRWCQRC-UHFFFAOYSA-N
XLogP2.56
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid
CID 119239798
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-methoxy-4-propoxyphenyl)methanone;hydrochloride
CID 119518451
N-[2,3-dimethoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylacetamide
CID 175642350
(4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 153363407
[2,3-diacetyloxy-5-(morpholine-4-carbonyl)phenyl] acetate
CID 12509978
[4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911866
3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide
CID 4541836
[3-[2,6-dimethoxy-4-(morpholine-4-carbonyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride
CID 110181138
(4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone
CID 112762921
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-chloro-5-methoxy-4-propoxyphenyl)methanone;hydrochloride
CID 120815276
(4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
CID 177077600

Frequently Asked Questions

What is the IUPAC name of (3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone (CID 126375071) is (3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone is CCCOc1c(I)cc(C(=O)N2CCOCC2)cc1OC.
What is the InChIKey of (3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone?
The InChIKey is QSXFDKZSRWCQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO4/c1-3-6-21-14-12(16)9-11(10-13(14)19-2)15(18)17-4-7-20-8-5-17/h9-10H,3-8H2,1-2H3.
What are the key properties of (3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone?
(3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone has a molecular weight of 405.23 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 126375071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).