1-(3-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)propan-1-ol

C16H12ClF5O2 — CID 162511693

IUPAC1-(3-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1C(O)(c1cccc(Cl)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H12ClF5O2/c1-24-13-8-3-2-7-12(13)14(23,15(18,19)16(20,21)22)10-5-4-6-11(17)9-10/h2-9,23H,1H3
InChIKeyNMVWVYCJFNCURT-UHFFFAOYSA-N
MW366.71 g/mol
LogP4.78
Rot. Bonds4

About 1-(3-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)propan-1-ol

1-(3-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)propan-1-ol (PubChem CID 162511693) has the molecular formula C16H12ClF5O2 and a molecular weight of 366.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)propan-1-ol
PubChem CID162511693
Molecular FormulaC16H12ClF5O2
Molecular Weight366.71 g/mol
Exact Mass366.04
IUPAC Name1-(3-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1C(O)(c1cccc(Cl)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H12ClF5O2/c1-24-13-8-3-2-7-12(13)14(23,15(18,19)16(20,21)22)10-5-4-6-11(17)9-10/h2-9,23H,1H3
InChIKeyNMVWVYCJFNCURT-UHFFFAOYSA-N
XLogP4.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.71
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-Dichlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 10127340
2-(3-Chlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 10150851
2-(2,5-Dichlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 10151357
2-(3-Chloro-5-methylbenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 10216465
2-(2,6-Dichlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 10216788
2-(2,3-Dichlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 10238297
2-(4-Chlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 10309755
2-(2-Chlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 10309756
(S)-2-(4-chloro-benzyl)-1,1,1-trifluoro-4-(5-fluoro-2-methoxy-phenyl)-4-methyl-pentan-2-ol
CID 11567630
(R)-2-(4-chloro-benzyl)-1,1,1-trifluoro-4-(5-fluoro-2-methoxy-phenyl)-4-methyl-pentan-2-ol
CID 44407314
5-Chloro-2-methoxy-biphenyl
CID 13538177
5-Chloro-2-(difluoromethoxy)benzenemethanol
CID 43141878

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)propan-1-ol (CID 162511693) is 1-(3-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)propan-1-ol is COc1ccccc1C(O)(c1cccc(Cl)c1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(3-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)propan-1-ol?
The InChIKey is NMVWVYCJFNCURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF5O2/c1-24-13-8-3-2-7-12(13)14(23,15(18,19)16(20,21)22)10-5-4-6-11(17)9-10/h2-9,23H,1H3.
What are the key properties of 1-(3-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)propan-1-ol?
1-(3-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)propan-1-ol has a molecular weight of 366.71 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 162511693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).