1-iodo-2-methoxy-4-propylbenzene

C10H13IO — CID 118402577

IUPAC1-iodo-2-methoxy-4-propylbenzene
SMILESCCCc1ccc(I)c(OC)c1
InChIInChI=1S/C10H13IO/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7H,3-4H2,1-2H3
InChIKeyREFVMNLWOVZZAH-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.25
Rot. Bonds3

About 1-iodo-2-methoxy-4-propylbenzene

1-iodo-2-methoxy-4-propylbenzene (PubChem CID 118402577) has the molecular formula C10H13IO and a molecular weight of 276.12 g/mol. Its IUPAC name is 1-iodo-2-methoxy-4-propylbenzene.

Molecular Properties

Compound Name1-iodo-2-methoxy-4-propylbenzene
PubChem CID118402577
Molecular FormulaC10H13IO
Molecular Weight276.12 g/mol
Exact Mass276.00
IUPAC Name1-iodo-2-methoxy-4-propylbenzene
SMILESCCCc1ccc(I)c(OC)c1
InChIInChI=1S/C10H13IO/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7H,3-4H2,1-2H3
InChIKeyREFVMNLWOVZZAH-UHFFFAOYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
ethane;2-methoxy-4-propylphenol
CID 144852330
2-methoxy-1-methylsulfanyl-4-propylbenzene
CID 91881478
ethane;2-methoxy-N-methyl-4-propylaniline
CID 156712909
2-(1-isocyanoethyl)-1-methoxy-4-propylbenzene
CID 4269004
2-iodo-4-[4-(3-iodo-4-methoxyphenyl)butyl]-1-methoxybenzene
CID 71345262
4-(3-chlorohexyl)-1,2-dimethoxybenzene
CID 64513550
tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492
1,4-diiodo-2-methoxybenzene
CID 23154690
1,2-diethoxy-4-propylbenzene
CID 3995471
1,2,3-trimethoxy-7-propylnaphthalene
CID 150838328
propyl 2-methoxy-4-propylbenzoate
CID 175548133

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-methoxy-4-propylbenzene?
The IUPAC name of 1-iodo-2-methoxy-4-propylbenzene (CID 118402577) is 1-iodo-2-methoxy-4-propylbenzene.
What is the SMILES notation for 1-iodo-2-methoxy-4-propylbenzene?
The canonical SMILES for 1-iodo-2-methoxy-4-propylbenzene is CCCc1ccc(I)c(OC)c1.
What is the InChIKey of 1-iodo-2-methoxy-4-propylbenzene?
The InChIKey is REFVMNLWOVZZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-iodo-2-methoxy-4-propylbenzene?
1-iodo-2-methoxy-4-propylbenzene has a molecular weight of 276.12 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methoxy-4-propylbenzene is sourced from PubChem (CID 118402577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).