2-(3-bromophenyl)-1,3-dioxane

C10H11BrO2 — CID 10105815

IUPAC2-(3-bromophenyl)-1,3-dioxane
SMILESBrc1cccc(C2OCCCO2)c1
InChIInChI=1S/C10H11BrO2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10H,2,5-6H2
InChIKeyJEMRRZJFAXMRKE-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.88
Rot. Bonds1

About 2-(3-bromophenyl)-1,3-dioxane

2-(3-bromophenyl)-1,3-dioxane (PubChem CID 10105815) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1,3-dioxane.

Molecular Properties

Compound Name2-(3-bromophenyl)-1,3-dioxane
PubChem CID10105815
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name2-(3-bromophenyl)-1,3-dioxane
SMILESBrc1cccc(C2OCCCO2)c1
InChIInChI=1S/C10H11BrO2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10H,2,5-6H2
InChIKeyJEMRRZJFAXMRKE-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Orthobenzoic acid, p-bromo-, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol
CID 175731
2-Phenyl-1,3-dioxane
CID 69874
2-(3-Bromophenyl)-1,3-dioxolane
CID 87306
1,3-Dioxane, 5,5-dimethyl-2-phenyl-
CID 69895
4-Methyl-2-phenyl-1,3-dioxane
CID 95393
1-Bromo-3-(dimethoxymethyl)benzene
CID 105395
2-(2-Bromophenyl)-1,3-dioxolane
CID 553534
1-Bromo-4-(dimethoxymethyl)benzene
CID 688342
1-Bromo-2-(diethoxymethyl)benzene
CID 3482778
1-Bromo-2-(dimethoxymethyl)benzene
CID 11148943
1-Bromo-3-(methoxymethyl)benzene
CID 13219582
5,5-Bis(bromomethyl)-2-phenyl-1,3-dioxane
CID 21823070

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1,3-dioxane?
The IUPAC name of 2-(3-bromophenyl)-1,3-dioxane (CID 10105815) is 2-(3-bromophenyl)-1,3-dioxane.
What is the SMILES notation for 2-(3-bromophenyl)-1,3-dioxane?
The canonical SMILES for 2-(3-bromophenyl)-1,3-dioxane is Brc1cccc(C2OCCCO2)c1.
What is the InChIKey of 2-(3-bromophenyl)-1,3-dioxane?
The InChIKey is JEMRRZJFAXMRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10H,2,5-6H2.
What are the key properties of 2-(3-bromophenyl)-1,3-dioxane?
2-(3-bromophenyl)-1,3-dioxane has a molecular weight of 243.10 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1,3-dioxane is sourced from PubChem (CID 10105815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).