3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(5-bromo-2-ethylphenyl)methanol

C17H17BrO — CID 134498429

IUPAC3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(5-bromo-2-ethylphenyl)methanol
SMILESCCc1ccc(Br)cc1C(O)c1ccc2c(c1)CC2
InChIInChI=1S/C17H17BrO/c1-2-11-7-8-15(18)10-16(11)17(19)14-6-4-12-3-5-13(12)9-14/h4,6-10,17,19H,2-3,5H2,1H3
InChIKeyMAUWWNMJXOXAOA-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.19
Rot. Bonds3

About 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(5-bromo-2-ethylphenyl)methanol

3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(5-bromo-2-ethylphenyl)methanol (PubChem CID 134498429) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(5-bromo-2-ethylphenyl)methanol.

Molecular Properties

Compound Name3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(5-bromo-2-ethylphenyl)methanol
PubChem CID134498429
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(5-bromo-2-ethylphenyl)methanol
SMILESCCc1ccc(Br)cc1C(O)c1ccc2c(c1)CC2
InChIInChI=1S/C17H17BrO/c1-2-11-7-8-15(18)10-16(11)17(19)14-6-4-12-3-5-13(12)9-14/h4,6-10,17,19H,2-3,5H2,1H3
InChIKeyMAUWWNMJXOXAOA-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(5-bromo-2-ethylphenyl)methanol with MolForge

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Related Compounds

(5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65307271
(3-bromophenyl)-(2-ethylphenyl)methanol
CID 91657859
(4-bromo-2-chlorophenyl)-(3,4-diethylphenyl)methanol
CID 115482586
(3-bromo-4-chlorophenyl)-(2,5-diethylphenyl)methanol
CID 107991251
(3-bromo-5-chlorophenyl)-(2,5-diethylphenyl)methanol
CID 107955643
(2-bromophenyl)-(3,4-diethylphenyl)methanol
CID 115482670
3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
CID 10866980
4-[bromo-(4-bromophenyl)methyl]-1,2-diethylbenzene
CID 113319257
(5-bromo-2-ethoxyphenyl)-(4-bromophenyl)methanol
CID 61081643
(2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 107983332
(5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol
CID 114033085
3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol
CID 174827553

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(5-bromo-2-ethylphenyl)methanol?
The IUPAC name of 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(5-bromo-2-ethylphenyl)methanol (CID 134498429) is 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(5-bromo-2-ethylphenyl)methanol.
What is the SMILES notation for 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(5-bromo-2-ethylphenyl)methanol?
The canonical SMILES for 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(5-bromo-2-ethylphenyl)methanol is CCc1ccc(Br)cc1C(O)c1ccc2c(c1)CC2.
What is the InChIKey of 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(5-bromo-2-ethylphenyl)methanol?
The InChIKey is MAUWWNMJXOXAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO/c1-2-11-7-8-15(18)10-16(11)17(19)14-6-4-12-3-5-13(12)9-14/h4,6-10,17,19H,2-3,5H2,1H3.
What are the key properties of 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(5-bromo-2-ethylphenyl)methanol?
3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(5-bromo-2-ethylphenyl)methanol has a molecular weight of 317.23 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(5-bromo-2-ethylphenyl)methanol is sourced from PubChem (CID 134498429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).