7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol

C15H12Cl2O — CID 64986314

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol
SMILESOC(c1cc(Cl)ccc1Cl)C1Cc2ccccc21
InChIInChI=1S/C15H12Cl2O/c16-10-5-6-14(17)13(8-10)15(18)12-7-9-3-1-2-4-11(9)12/h1-6,8,12,15,18H,7H2
InChIKeyNOKVSQZELBBQKK-UHFFFAOYSA-N
MW279.17 g/mol
LogP4.37
Rot. Bonds2

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol (PubChem CID 64986314) has the molecular formula C15H12Cl2O and a molecular weight of 279.17 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol
PubChem CID64986314
Molecular FormulaC15H12Cl2O
Molecular Weight279.17 g/mol
Exact Mass278.03
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol
SMILESOC(c1cc(Cl)ccc1Cl)C1Cc2ccccc21
InChIInChI=1S/C15H12Cl2O/c16-10-5-6-14(17)13(8-10)15(18)12-7-9-3-1-2-4-11(9)12/h1-6,8,12,15,18H,7H2
InChIKeyNOKVSQZELBBQKK-UHFFFAOYSA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 61081025
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol
CID 66395768
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol
CID 114602257
(2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 115818219
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106972145
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-difluorophenyl)methanol
CID 64986608
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine
CID 105397832
7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanol
CID 64987016
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol
CID 66272474
1-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol
CID 115809497
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105224818
2-(2,5-dichlorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 65411173

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol (CID 64986314) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol is OC(c1cc(Cl)ccc1Cl)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol?
The InChIKey is NOKVSQZELBBQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O/c16-10-5-6-14(17)13(8-10)15(18)12-7-9-3-1-2-4-11(9)12/h1-6,8,12,15,18H,7H2.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol has a molecular weight of 279.17 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol is sourced from PubChem (CID 64986314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).