1-iodo-2-methoxy-3-phenylbenzene

C13H11IO — CID 164896113

IUPAC1-iodo-2-methoxy-3-phenylbenzene
SMILESCOc1c(I)cccc1-c1ccccc1
InChIInChI=1S/C13H11IO/c1-15-13-11(8-5-9-12(13)14)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyVPIQYVOUADFLKN-UHFFFAOYSA-N
MW310.13 g/mol
LogP3.97
Rot. Bonds2

About 1-iodo-2-methoxy-3-phenylbenzene

1-iodo-2-methoxy-3-phenylbenzene (PubChem CID 164896113) has the molecular formula C13H11IO and a molecular weight of 310.13 g/mol. Its IUPAC name is 1-iodo-2-methoxy-3-phenylbenzene.

Molecular Properties

Compound Name1-iodo-2-methoxy-3-phenylbenzene
PubChem CID164896113
Molecular FormulaC13H11IO
Molecular Weight310.13 g/mol
Exact Mass309.99
IUPAC Name1-iodo-2-methoxy-3-phenylbenzene
SMILESCOc1c(I)cccc1-c1ccccc1
InChIInChI=1S/C13H11IO/c1-15-13-11(8-5-9-12(13)14)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyVPIQYVOUADFLKN-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 53.97
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

2-methoxy-1,3-diphenylbenzene
CID 23524590
1,3-diiodo-2-methoxybenzene
CID 12610037
2-methoxy-3-phenylbenzonitrile
CID 91276072
(2-methoxy-3-phenylphenyl)-phenyldiazene
CID 21342365
1-iodo-2-(4-phenylphenyl)benzene
CID 12595491
1-iodo-2-(2-phenylphenyl)benzene
CID 12595499
2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium
CID 170543584
3-iodo-2-methoxycyclohepta-2,4,6-trien-1-one
CID 102239340
2-(3-iodo-2-methoxyphenyl)-1,3,4-thiadiazole
CID 130052517
O-(2,6-diphenylphenyl)hydroxylamine
CID 146317858
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene
CID 140972747

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-methoxy-3-phenylbenzene?
The IUPAC name of 1-iodo-2-methoxy-3-phenylbenzene (CID 164896113) is 1-iodo-2-methoxy-3-phenylbenzene.
What is the SMILES notation for 1-iodo-2-methoxy-3-phenylbenzene?
The canonical SMILES for 1-iodo-2-methoxy-3-phenylbenzene is COc1c(I)cccc1-c1ccccc1.
What is the InChIKey of 1-iodo-2-methoxy-3-phenylbenzene?
The InChIKey is VPIQYVOUADFLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IO/c1-15-13-11(8-5-9-12(13)14)10-6-3-2-4-7-10/h2-9H,1H3.
What are the key properties of 1-iodo-2-methoxy-3-phenylbenzene?
1-iodo-2-methoxy-3-phenylbenzene has a molecular weight of 310.13 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methoxy-3-phenylbenzene is sourced from PubChem (CID 164896113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).