(2-chloro-5-fluorophenyl)-(1-phenylcyclopropyl)methanol

C16H14ClFO — CID 105394462

IUPAC(2-chloro-5-fluorophenyl)-(1-phenylcyclopropyl)methanol
SMILESOC(c1cc(F)ccc1Cl)C1(c2ccccc2)CC1
InChIInChI=1S/C16H14ClFO/c17-14-7-6-12(18)10-13(14)15(19)16(8-9-16)11-4-2-1-3-5-11/h1-7,10,15,19H,8-9H2
InChIKeyWRQOFDVCODNVSI-UHFFFAOYSA-N
MW276.74 g/mol
LogP4.24
Rot. Bonds3

About (2-chloro-5-fluorophenyl)-(1-phenylcyclopropyl)methanol

(2-chloro-5-fluorophenyl)-(1-phenylcyclopropyl)methanol (PubChem CID 105394462) has the molecular formula C16H14ClFO and a molecular weight of 276.74 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(1-phenylcyclopropyl)methanol.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(1-phenylcyclopropyl)methanol
PubChem CID105394462
Molecular FormulaC16H14ClFO
Molecular Weight276.74 g/mol
Exact Mass276.07
IUPAC Name(2-chloro-5-fluorophenyl)-(1-phenylcyclopropyl)methanol
SMILESOC(c1cc(F)ccc1Cl)C1(c2ccccc2)CC1
InChIInChI=1S/C16H14ClFO/c17-14-7-6-12(18)10-13(14)15(19)16(8-9-16)11-4-2-1-3-5-11/h1-7,10,15,19H,8-9H2
InChIKeyWRQOFDVCODNVSI-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

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(1-phenylcyclopropyl)methanol
CID 62881250
(2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol
CID 81044939
(2-chlorophenyl)-(1-phenylcyclohexyl)methanol
CID 63414657
2-(2-chloro-5-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
CID 102618859
(2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol
CID 55179614
(2,3-dichlorophenyl)-(1-phenylcyclobutyl)methanol
CID 63414305
2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
CID 63079499
(2-chloro-5-fluorophenyl)methanediol
CID 71441110
1-[1-(2-chloro-5-fluorophenyl)cyclopropyl]ethanol
CID 83689558
(2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105397588
(4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine
CID 63078447
(2-ethoxyphenyl)-(1-phenylcyclopropyl)methanol
CID 63079301

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(1-phenylcyclopropyl)methanol?
The IUPAC name of (2-chloro-5-fluorophenyl)-(1-phenylcyclopropyl)methanol (CID 105394462) is (2-chloro-5-fluorophenyl)-(1-phenylcyclopropyl)methanol.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(1-phenylcyclopropyl)methanol?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(1-phenylcyclopropyl)methanol is OC(c1cc(F)ccc1Cl)C1(c2ccccc2)CC1.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(1-phenylcyclopropyl)methanol?
The InChIKey is WRQOFDVCODNVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO/c17-14-7-6-12(18)10-13(14)15(19)16(8-9-16)11-4-2-1-3-5-11/h1-7,10,15,19H,8-9H2.
What are the key properties of (2-chloro-5-fluorophenyl)-(1-phenylcyclopropyl)methanol?
(2-chloro-5-fluorophenyl)-(1-phenylcyclopropyl)methanol 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-chloro-5-fluorophenyl)-(1-phenylcyclopropyl)methanol is sourced from PubChem (CID 105394462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).