[2-(4-bromophenoxy)-4-methylphenyl] formate

C14H11BrO3 — CID 135130123

IUPAC[2-(4-bromophenoxy)-4-methylphenyl] formate
SMILESCc1ccc(OC=O)c(Oc2ccc(Br)cc2)c1
InChIInChI=1S/C14H11BrO3/c1-10-2-7-13(17-9-16)14(8-10)18-12-5-3-11(15)4-6-12/h2-9H,1H3
InChIKeyKFDXIHJIOVPKKE-UHFFFAOYSA-N
MW307.14 g/mol
LogP4.09
Rot. Bonds4

About [2-(4-bromophenoxy)-4-methylphenyl] formate

[2-(4-bromophenoxy)-4-methylphenyl] formate (PubChem CID 135130123) has the molecular formula C14H11BrO3 and a molecular weight of 307.14 g/mol. Its IUPAC name is [2-(4-bromophenoxy)-4-methylphenyl] formate.

Molecular Properties

Compound Name[2-(4-bromophenoxy)-4-methylphenyl] formate
PubChem CID135130123
Molecular FormulaC14H11BrO3
Molecular Weight307.14 g/mol
Exact Mass305.99
IUPAC Name[2-(4-bromophenoxy)-4-methylphenyl] formate
SMILESCc1ccc(OC=O)c(Oc2ccc(Br)cc2)c1
InChIInChI=1S/C14H11BrO3/c1-10-2-7-13(17-9-16)14(8-10)18-12-5-3-11(15)4-6-12/h2-9H,1H3
InChIKeyKFDXIHJIOVPKKE-UHFFFAOYSA-N
XLogP4.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenoxy)-4-methylbenzamide
CID 62308096
(2-hydroxy-4-methylphenyl) formate
CID 58909986
[2-(cyanomethoxy)-4-methylphenyl] formate
CID 174830177
2-bromo-4-methyl-6-(4-methylphenoxy)phenol
CID 101049595
2-(4-bromophenyl)-3-(4-methylphenoxy)furan
CID 67711671
(2,4-dimethoxyphenyl) formate
CID 11137749
ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde
CID 143820051
2-bromo-1-(4-fluorophenoxy)-4-methylbenzene
CID 59982340
4-bromo-2-(4-methylphenoxy)aniline
CID 65342479
4-(4-bromophenoxy)-1,2-dimethylbenzene
CID 169336658
1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene
CID 160687040
1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966680

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenoxy)-4-methylphenyl] formate?
The IUPAC name of [2-(4-bromophenoxy)-4-methylphenyl] formate (CID 135130123) is [2-(4-bromophenoxy)-4-methylphenyl] formate.
What is the SMILES notation for [2-(4-bromophenoxy)-4-methylphenyl] formate?
The canonical SMILES for [2-(4-bromophenoxy)-4-methylphenyl] formate is Cc1ccc(OC=O)c(Oc2ccc(Br)cc2)c1.
What is the InChIKey of [2-(4-bromophenoxy)-4-methylphenyl] formate?
The InChIKey is KFDXIHJIOVPKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3/c1-10-2-7-13(17-9-16)14(8-10)18-12-5-3-11(15)4-6-12/h2-9H,1H3.
What are the key properties of [2-(4-bromophenoxy)-4-methylphenyl] formate?
[2-(4-bromophenoxy)-4-methylphenyl] formate has a molecular weight of 307.14 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenoxy)-4-methylphenyl] formate is sourced from PubChem (CID 135130123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).