1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene

C14H12ClIO — CID 65490546

IUPAC1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene
SMILESClc1cccc(COCc2ccc(I)cc2)c1
InChIInChI=1S/C14H12ClIO/c15-13-3-1-2-12(8-13)10-17-9-11-4-6-14(16)7-5-11/h1-8H,9-10H2
InChIKeySWAJQRZOCRTVGH-UHFFFAOYSA-N
MW358.61 g/mol
LogP4.66
Rot. Bonds4

About 1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene

1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene (PubChem CID 65490546) has the molecular formula C14H12ClIO and a molecular weight of 358.61 g/mol. Its IUPAC name is 1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene
PubChem CID65490546
Molecular FormulaC14H12ClIO
Molecular Weight358.61 g/mol
Exact Mass357.96
IUPAC Name1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene
SMILESClc1cccc(COCc2ccc(I)cc2)c1
InChIInChI=1S/C14H12ClIO/c15-13-3-1-2-12(8-13)10-17-9-11-4-6-14(16)7-5-11/h1-8H,9-10H2
InChIKeySWAJQRZOCRTVGH-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.61
LogP ≤ 54.66
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-chloro-4-[(4-iodophenyl)methoxymethyl]benzene
CID 65490741
[4-[(3-chlorophenyl)methoxymethyl]phenyl]-trimethylsilane
CID 103438691
3-[4-[(3-chlorophenyl)methoxymethyl]phenyl]prop-2-enoic acid
CID 77056894
4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82253711
1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene
CID 65125960
2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene
CID 65126584
2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole
CID 80607272
4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene
CID 113471414
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 65125794
2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide
CID 77056910
4-[(3-chlorophenyl)methoxy]but-2-en-1-amine
CID 77110729

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene?
The IUPAC name of 1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene (CID 65490546) is 1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene.
What is the SMILES notation for 1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene?
The canonical SMILES for 1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene is Clc1cccc(COCc2ccc(I)cc2)c1.
What is the InChIKey of 1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene?
The InChIKey is SWAJQRZOCRTVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIO/c15-13-3-1-2-12(8-13)10-17-9-11-4-6-14(16)7-5-11/h1-8H,9-10H2.
What are the key properties of 1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene?
1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene has a molecular weight of 358.61 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene is sourced from PubChem (CID 65490546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).