4-bromo-2-cyclopropyl-6-[(E)-prop-1-enyl]phenol

C12H13BrO — CID 164953516

IUPAC4-bromo-2-cyclopropyl-6-[(E)-prop-1-enyl]phenol
SMILESC/C=C/c1cc(Br)cc(C2CC2)c1O
InChIInChI=1S/C12H13BrO/c1-2-3-9-6-10(13)7-11(12(9)14)8-4-5-8/h2-3,6-8,14H,4-5H2,1H3/b3-2+
InChIKeyUFHGEDPAXGVAQC-NSCUHMNNSA-N
MW253.14 g/mol
LogP4.07
Rot. Bonds2

About 4-bromo-2-cyclopropyl-6-[(E)-prop-1-enyl]phenol

4-bromo-2-cyclopropyl-6-[(E)-prop-1-enyl]phenol (PubChem CID 164953516) has the molecular formula C12H13BrO and a molecular weight of 253.14 g/mol. Its IUPAC name is 4-bromo-2-cyclopropyl-6-[(E)-prop-1-enyl]phenol.

Molecular Properties

Compound Name4-bromo-2-cyclopropyl-6-[(E)-prop-1-enyl]phenol
PubChem CID164953516
Molecular FormulaC12H13BrO
Molecular Weight253.14 g/mol
Exact Mass252.01
IUPAC Name4-bromo-2-cyclopropyl-6-[(E)-prop-1-enyl]phenol
SMILESC/C=C/c1cc(Br)cc(C2CC2)c1O
InChIInChI=1S/C12H13BrO/c1-2-3-9-6-10(13)7-11(12(9)14)8-4-5-8/h2-3,6-8,14H,4-5H2,1H3/b3-2+
InChIKeyUFHGEDPAXGVAQC-NSCUHMNNSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-2-cyclopropyl-6-[(E)-prop-1-enyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclopropyl-6-[(E)-prop-1-enyl]phenol?
The IUPAC name of 4-bromo-2-cyclopropyl-6-[(E)-prop-1-enyl]phenol (CID 164953516) is 4-bromo-2-cyclopropyl-6-[(E)-prop-1-enyl]phenol.
What is the SMILES notation for 4-bromo-2-cyclopropyl-6-[(E)-prop-1-enyl]phenol?
The canonical SMILES for 4-bromo-2-cyclopropyl-6-[(E)-prop-1-enyl]phenol is C/C=C/c1cc(Br)cc(C2CC2)c1O.
What is the InChIKey of 4-bromo-2-cyclopropyl-6-[(E)-prop-1-enyl]phenol?
The InChIKey is UFHGEDPAXGVAQC-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H13BrO/c1-2-3-9-6-10(13)7-11(12(9)14)8-4-5-8/h2-3,6-8,14H,4-5H2,1H3/b3-2+.
What are the key properties of 4-bromo-2-cyclopropyl-6-[(E)-prop-1-enyl]phenol?
4-bromo-2-cyclopropyl-6-[(E)-prop-1-enyl]phenol has a molecular weight of 253.14 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyclopropyl-6-[(E)-prop-1-enyl]phenol is sourced from PubChem (CID 164953516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).