(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol

C15H11F5O — CID 114979573

IUPAC(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol
SMILESCc1cc(C)cc(C(O)c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C15H11F5O/c1-6-3-7(2)5-8(4-6)15(21)9-10(16)12(18)14(20)13(19)11(9)17/h3-5,15,21H,1-2H3
InChIKeyIXNVLKFQQUDIEB-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.08
Rot. Bonds2

About (3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol

(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol (PubChem CID 114979573) has the molecular formula C15H11F5O and a molecular weight of 302.24 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol
PubChem CID114979573
Molecular FormulaC15H11F5O
Molecular Weight302.24 g/mol
Exact Mass302.07
IUPAC Name(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol
SMILESCc1cc(C)cc(C(O)c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C15H11F5O/c1-6-3-7(2)5-8(4-6)15(21)9-10(16)12(18)14(20)13(19)11(9)17/h3-5,15,21H,1-2H3
InChIKeyIXNVLKFQQUDIEB-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115796552
(R)-(3,5-dimethylphenyl)-(4-fluorophenyl)methanol
CID 7154269
(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879416
(3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol
CID 106945118
(2,6-dichlorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 79690334
(4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 114329914
(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
CID 115793225
(1R,2S)-1,2-bis(3,5-dimethylphenyl)ethane-1,2-diol
CID 102316400
(2-bromo-6-fluoro-4-methylphenyl)-(4-fluorophenyl)methanol
CID 171366941
(3,5-dibromophenyl)-(2,4,6-trimethylphenyl)methanol
CID 107980714
(4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 106879405
(2-fluoro-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823134

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol?
The IUPAC name of (3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol (CID 114979573) is (3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol.
What is the SMILES notation for (3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol?
The canonical SMILES for (3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol is Cc1cc(C)cc(C(O)c2c(F)c(F)c(F)c(F)c2F)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol?
The InChIKey is IXNVLKFQQUDIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5O/c1-6-3-7(2)5-8(4-6)15(21)9-10(16)12(18)14(20)13(19)11(9)17/h3-5,15,21H,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol?
(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol has a molecular weight of 302.24 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol is sourced from PubChem (CID 114979573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).