1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol

C13H17BrO2 — CID 106823344

IUPAC1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol
SMILESCCOC1CC(O)(Cc2ccccc2Br)C1
InChIInChI=1S/C13H17BrO2/c1-2-16-11-8-13(15,9-11)7-10-5-3-4-6-12(10)14/h3-6,11,15H,2,7-9H2,1H3
InChIKeyJCRXZMWGVYBVEX-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.92
Rot. Bonds4

About 1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol

1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol (PubChem CID 106823344) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol
PubChem CID106823344
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol
SMILESCCOC1CC(O)(Cc2ccccc2Br)C1
InChIInChI=1S/C13H17BrO2/c1-2-16-11-8-13(15,9-11)7-10-5-3-4-6-12(10)14/h3-6,11,15H,2,7-9H2,1H3
InChIKeyJCRXZMWGVYBVEX-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol (CID 106823344) is 1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol is CCOC1CC(O)(Cc2ccccc2Br)C1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol?
The InChIKey is JCRXZMWGVYBVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-2-16-11-8-13(15,9-11)7-10-5-3-4-6-12(10)14/h3-6,11,15H,2,7-9H2,1H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol?
1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol has a molecular weight of 285.18 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol is sourced from PubChem (CID 106823344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).