1-iodo-2-methyl-4-(3-methylphenoxy)benzene

C14H13IO — CID 135130038

IUPAC1-iodo-2-methyl-4-(3-methylphenoxy)benzene
SMILESCc1cccc(Oc2ccc(I)c(C)c2)c1
InChIInChI=1S/C14H13IO/c1-10-4-3-5-12(8-10)16-13-6-7-14(15)11(2)9-13/h3-9H,1-2H3
InChIKeyUXQLRKCAXVZUFH-UHFFFAOYSA-N
MW324.16 g/mol
LogP4.70
Rot. Bonds2

About 1-iodo-2-methyl-4-(3-methylphenoxy)benzene

1-iodo-2-methyl-4-(3-methylphenoxy)benzene (PubChem CID 135130038) has the molecular formula C14H13IO and a molecular weight of 324.16 g/mol. Its IUPAC name is 1-iodo-2-methyl-4-(3-methylphenoxy)benzene.

Molecular Properties

Compound Name1-iodo-2-methyl-4-(3-methylphenoxy)benzene
PubChem CID135130038
Molecular FormulaC14H13IO
Molecular Weight324.16 g/mol
Exact Mass324.00
IUPAC Name1-iodo-2-methyl-4-(3-methylphenoxy)benzene
SMILESCc1cccc(Oc2ccc(I)c(C)c2)c1
InChIInChI=1S/C14H13IO/c1-10-4-3-5-12(8-10)16-13-6-7-14(15)11(2)9-13/h3-9H,1-2H3
InChIKeyUXQLRKCAXVZUFH-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 54.70
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-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
2-methyl-4-(3-methylphenoxy)-1-nitrobenzene
CID 21071560
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820
1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256
[4-(3-methylphenoxy)phenyl]hydrazine
CID 69023705
N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 55221832
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
2,4-bis(3-methylphenoxy)aniline
CID 34173748
2,4-bis(3-methylphenoxy)phenol
CID 139941781
6,15,25,34-tetrakis(3-methylphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10(40),11,13(18),14,16,19(39),20,22(27),23,25,28(38),29,31(36),32,34-icosaene
CID 22894627

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-methyl-4-(3-methylphenoxy)benzene?
The IUPAC name of 1-iodo-2-methyl-4-(3-methylphenoxy)benzene (CID 135130038) is 1-iodo-2-methyl-4-(3-methylphenoxy)benzene.
What is the SMILES notation for 1-iodo-2-methyl-4-(3-methylphenoxy)benzene?
The canonical SMILES for 1-iodo-2-methyl-4-(3-methylphenoxy)benzene is Cc1cccc(Oc2ccc(I)c(C)c2)c1.
What is the InChIKey of 1-iodo-2-methyl-4-(3-methylphenoxy)benzene?
The InChIKey is UXQLRKCAXVZUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IO/c1-10-4-3-5-12(8-10)16-13-6-7-14(15)11(2)9-13/h3-9H,1-2H3.
What are the key properties of 1-iodo-2-methyl-4-(3-methylphenoxy)benzene?
1-iodo-2-methyl-4-(3-methylphenoxy)benzene has a molecular weight of 324.16 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methyl-4-(3-methylphenoxy)benzene is sourced from PubChem (CID 135130038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).