1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol

C14H12ClFO — CID 60798270

IUPAC1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClFO/c15-12-5-2-4-11(9-12)14(17)8-10-3-1-6-13(16)7-10/h1-7,9,14,17H,8H2
InChIKeyNTBZQEAINKGOOA-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.76
Rot. Bonds3

About 1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol

1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol (PubChem CID 60798270) has the molecular formula C14H12ClFO and a molecular weight of 250.70 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
PubChem CID60798270
Molecular FormulaC14H12ClFO
Molecular Weight250.70 g/mol
Exact Mass250.06
IUPAC Name1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClFO/c15-12-5-2-4-11(9-12)14(17)8-10-3-1-6-13(16)7-10/h1-7,9,14,17H,8H2
InChIKeyNTBZQEAINKGOOA-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-1-(4-fluorophenyl)ethanol
CID 60797606
2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol
CID 115527783
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 60797621
1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 81307399
N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828300
1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol
CID 82045084
2-(2-chloro-6-fluorophenyl)-1-(3-chlorophenyl)ethanol
CID 61495863
1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene
CID 63543838
3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol
CID 62629130
2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol
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(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol (CID 60798270) is 1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol is OC(Cc1cccc(F)c1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol?
The InChIKey is NTBZQEAINKGOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO/c15-12-5-2-4-11(9-12)14(17)8-10-3-1-6-13(16)7-10/h1-7,9,14,17H,8H2.
What are the key properties of 1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol?
1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol has a molecular weight of 250.70 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol is sourced from PubChem (CID 60798270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).