[3-(4-bromophenyl)oxolan-3-yl]carbamic acid

C11H12BrNO3 — CID 130407616

IUPAC[3-(4-bromophenyl)oxolan-3-yl]carbamic acid
SMILESO=C(O)NC1(c2ccc(Br)cc2)CCOC1
InChIInChI=1S/C11H12BrNO3/c12-9-3-1-8(2-4-9)11(13-10(14)15)5-6-16-7-11/h1-4,13H,5-7H2,(H,14,15)
InChIKeyPGKXXSBYYQYKKE-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.33
Rot. Bonds2

About [3-(4-bromophenyl)oxolan-3-yl]carbamic acid

[3-(4-bromophenyl)oxolan-3-yl]carbamic acid (PubChem CID 130407616) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is [3-(4-bromophenyl)oxolan-3-yl]carbamic acid.

Molecular Properties

Compound Name[3-(4-bromophenyl)oxolan-3-yl]carbamic acid
PubChem CID130407616
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name[3-(4-bromophenyl)oxolan-3-yl]carbamic acid
SMILESO=C(O)NC1(c2ccc(Br)cc2)CCOC1
InChIInChI=1S/C11H12BrNO3/c12-9-3-1-8(2-4-9)11(13-10(14)15)5-6-16-7-11/h1-4,13H,5-7H2,(H,14,15)
InChIKeyPGKXXSBYYQYKKE-UHFFFAOYSA-N
XLogP2.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)oxolan-3-yl]carbamic acid?
The IUPAC name of [3-(4-bromophenyl)oxolan-3-yl]carbamic acid (CID 130407616) is [3-(4-bromophenyl)oxolan-3-yl]carbamic acid.
What is the SMILES notation for [3-(4-bromophenyl)oxolan-3-yl]carbamic acid?
The canonical SMILES for [3-(4-bromophenyl)oxolan-3-yl]carbamic acid is O=C(O)NC1(c2ccc(Br)cc2)CCOC1.
What is the InChIKey of [3-(4-bromophenyl)oxolan-3-yl]carbamic acid?
The InChIKey is PGKXXSBYYQYKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c12-9-3-1-8(2-4-9)11(13-10(14)15)5-6-16-7-11/h1-4,13H,5-7H2,(H,14,15).
What are the key properties of [3-(4-bromophenyl)oxolan-3-yl]carbamic acid?
[3-(4-bromophenyl)oxolan-3-yl]carbamic acid has a molecular weight of 286.12 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)oxolan-3-yl]carbamic acid is sourced from PubChem (CID 130407616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).