3-bromo-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene

C15H13BrO — CID 172915621

IUPAC3-bromo-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene
SMILESBrc1ccc2c(c1OCc1ccccc1)CC2
InChIInChI=1S/C15H13BrO/c16-14-9-7-12-6-8-13(12)15(14)17-10-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2
InChIKeyNJNIXZSPYTVXLW-UHFFFAOYSA-N
MW289.17 g/mol
LogP4.13
Rot. Bonds3

About 3-bromo-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene

3-bromo-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 172915621) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is 3-bromo-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name3-bromo-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID172915621
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name3-bromo-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene
SMILESBrc1ccc2c(c1OCc1ccccc1)CC2
InChIInChI=1S/C15H13BrO/c16-14-9-7-12-6-8-13(12)15(14)17-10-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2
InChIKeyNJNIXZSPYTVXLW-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-nitro-3-phenylmethoxybenzoic acid
CID 163304371
2,4-dibromo-3-phenylmethoxybenzaldehyde;ethane
CID 177011073
2-bromo-5-methoxy-1-phenylmethoxynaphthalene
CID 10904008
(3-bromo-2-phenylmethoxyphenyl)-phenylmethanone
CID 58238538
(3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 91799383
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(3-bromo-4-phenylmethoxyphenyl)methanol
CID 134498894
2-(3-bromo-2-phenylmethoxyphenyl)pyridine
CID 151807224
4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane
CID 145157389
8-bromo-5-phenylmethoxyisoquinoline
CID 69449029
1,3-dibromo-5-(2-methylpropyl)-2-phenylmethoxybenzene
CID 164892875
2-phenylmethoxybenzene-1,3-diol
CID 15652625

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 3-bromo-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene (CID 172915621) is 3-bromo-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 3-bromo-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 3-bromo-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene is Brc1ccc2c(c1OCc1ccccc1)CC2.
What is the InChIKey of 3-bromo-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is NJNIXZSPYTVXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO/c16-14-9-7-12-6-8-13(12)15(14)17-10-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2.
What are the key properties of 3-bromo-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene?
3-bromo-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 289.17 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 172915621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).