2-[(2-bromophenyl)methyl]-1,3-dioxolane

C10H11BrO2 — CID 2756954

IUPAC2-[(2-bromophenyl)methyl]-1,3-dioxolane
SMILESBrc1ccccc1CC1OCCO1
InChIInChI=1S/C10H11BrO2/c11-9-4-2-1-3-8(9)7-10-12-5-6-13-10/h1-4,10H,5-7H2
InChIKeyYWFSTIQYCXISNY-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.36
Rot. Bonds2

About 2-[(2-bromophenyl)methyl]-1,3-dioxolane

2-[(2-bromophenyl)methyl]-1,3-dioxolane (PubChem CID 2756954) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-1,3-dioxolane
PubChem CID2756954
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name2-[(2-bromophenyl)methyl]-1,3-dioxolane
SMILESBrc1ccccc1CC1OCCO1
InChIInChI=1S/C10H11BrO2/c11-9-4-2-1-3-8(9)7-10-12-5-6-13-10/h1-4,10H,5-7H2
InChIKeyYWFSTIQYCXISNY-UHFFFAOYSA-N
XLogP2.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1,3-dioxolan-2-ylmethyl)phenyl]acetic acid
CID 170886697
3-[(2-bromophenyl)methyl]oxan-4-ol
CID 106471230
1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546390
2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane
CID 165440811
diethyl (4R,5R)-2-[(2-bromophenyl)methyl]-1,3-dioxolane-4,5-dicarboxylate
CID 10691594
(2S,3R,4S,5R)-2-[(2-bromophenyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 66561949
3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol
CID 64907505
5-[(2-bromophenyl)methyl]-5H-tetrazole
CID 174412815
ethyl 2-(1,3-dioxolan-2-ylmethyl)benzoate
CID 24727471
N-[(2-bromophenyl)methyl]-1-(1,3-dioxan-4-yl)methanamine
CID 81102425
1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol
CID 106672210
(2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
CID 97358207

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-1,3-dioxolane?
The IUPAC name of 2-[(2-bromophenyl)methyl]-1,3-dioxolane (CID 2756954) is 2-[(2-bromophenyl)methyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-1,3-dioxolane?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-1,3-dioxolane is Brc1ccccc1CC1OCCO1.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-1,3-dioxolane?
The InChIKey is YWFSTIQYCXISNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c11-9-4-2-1-3-8(9)7-10-12-5-6-13-10/h1-4,10H,5-7H2.
What are the key properties of 2-[(2-bromophenyl)methyl]-1,3-dioxolane?
2-[(2-bromophenyl)methyl]-1,3-dioxolane has a molecular weight of 243.10 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-1,3-dioxolane is sourced from PubChem (CID 2756954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).