2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-2-fluorophenyl)ethanol

C16H14ClFO — CID 66418586

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-2-fluorophenyl)ethanol
SMILESOC(CC1Cc2ccccc21)c1cccc(Cl)c1F
InChIInChI=1S/C16H14ClFO/c17-14-7-3-6-13(16(14)18)15(19)9-11-8-10-4-1-2-5-12(10)11/h1-7,11,15,19H,8-9H2
InChIKeySQNULNUZTGCOGF-UHFFFAOYSA-N
MW276.74 g/mol
LogP4.24
Rot. Bonds3

About 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-2-fluorophenyl)ethanol

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-2-fluorophenyl)ethanol (PubChem CID 66418586) has the molecular formula C16H14ClFO and a molecular weight of 276.74 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-2-fluorophenyl)ethanol
PubChem CID66418586
Molecular FormulaC16H14ClFO
Molecular Weight276.74 g/mol
Exact Mass276.07
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-2-fluorophenyl)ethanol
SMILESOC(CC1Cc2ccccc21)c1cccc(Cl)c1F
InChIInChI=1S/C16H14ClFO/c17-14-7-3-6-13(16(14)18)15(19)9-11-8-10-4-1-2-5-12(10)11/h1-7,11,15,19H,8-9H2
InChIKeySQNULNUZTGCOGF-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-2-fluorophenyl)ethanol with MolForge

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Related Compounds

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 115816721
1-(3-chloro-2-fluorophenyl)-2-cyclobutylethanol
CID 65459936
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-chloro-2-methoxyphenyl)ethanol
CID 115816661
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-(2-fluorophenyl)ethanol
CID 66395809
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408111
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 105003608
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol
CID 107978498
3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol
CID 81262700
3-(3-chloro-2-fluorophenyl)-3-hydroxypropanenitrile
CID 114489174
1-(3-chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanol
CID 81263148
(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol
CID 64713264
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,5-difluorophenyl)propan-2-ol
CID 66417614

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-2-fluorophenyl)ethanol?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-2-fluorophenyl)ethanol (CID 66418586) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-2-fluorophenyl)ethanol?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-2-fluorophenyl)ethanol is OC(CC1Cc2ccccc21)c1cccc(Cl)c1F.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-2-fluorophenyl)ethanol?
The InChIKey is SQNULNUZTGCOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO/c17-14-7-3-6-13(16(14)18)15(19)9-11-8-10-4-1-2-5-12(10)11/h1-7,11,15,19H,8-9H2.
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-2-fluorophenyl)ethanol?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-2-fluorophenyl)ethanol has a molecular weight of 276.74 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-2-fluorophenyl)ethanol is sourced from PubChem (CID 66418586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).