1-iodo-4-methyl-2-phenylmethoxybenzene

C14H13IO — CID 134208884

IUPAC1-iodo-4-methyl-2-phenylmethoxybenzene
SMILESCc1ccc(I)c(OCc2ccccc2)c1
InChIInChI=1S/C14H13IO/c1-11-7-8-13(15)14(9-11)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyQEAWTFZWZUXWBN-UHFFFAOYSA-N
MW324.16 g/mol
LogP4.18
Rot. Bonds3

About 1-iodo-4-methyl-2-phenylmethoxybenzene

1-iodo-4-methyl-2-phenylmethoxybenzene (PubChem CID 134208884) has the molecular formula C14H13IO and a molecular weight of 324.16 g/mol. Its IUPAC name is 1-iodo-4-methyl-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-iodo-4-methyl-2-phenylmethoxybenzene
PubChem CID134208884
Molecular FormulaC14H13IO
Molecular Weight324.16 g/mol
Exact Mass324.00
IUPAC Name1-iodo-4-methyl-2-phenylmethoxybenzene
SMILESCc1ccc(I)c(OCc2ccccc2)c1
InChIInChI=1S/C14H13IO/c1-11-7-8-13(15)14(9-11)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyQEAWTFZWZUXWBN-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 54.18
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-iodo-2-[(4-methylphenyl)methoxy]benzene
CID 63530114
4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene
CID 73333847
N-chloro-4-methyl-2-phenylmethoxyaniline
CID 87749280
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
2-butoxy-1-iodo-4-methylbenzene
CID 174551219
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
4,4,5,5-tetramethyl-2-(4-methyl-2-phenylmethoxyphenyl)-1,3,2-dioxaborolane
CID 138987086
2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone
CID 11370597
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-methyl-2-phenylmethoxybenzene?
The IUPAC name of 1-iodo-4-methyl-2-phenylmethoxybenzene (CID 134208884) is 1-iodo-4-methyl-2-phenylmethoxybenzene.
What is the SMILES notation for 1-iodo-4-methyl-2-phenylmethoxybenzene?
The canonical SMILES for 1-iodo-4-methyl-2-phenylmethoxybenzene is Cc1ccc(I)c(OCc2ccccc2)c1.
What is the InChIKey of 1-iodo-4-methyl-2-phenylmethoxybenzene?
The InChIKey is QEAWTFZWZUXWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IO/c1-11-7-8-13(15)14(9-11)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 1-iodo-4-methyl-2-phenylmethoxybenzene?
1-iodo-4-methyl-2-phenylmethoxybenzene has a molecular weight of 324.16 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-methyl-2-phenylmethoxybenzene is sourced from PubChem (CID 134208884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).