(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol

C16H16BrFO — CID 106879416

IUPAC(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
SMILESCc1cc(Br)cc(C(O)c2c(C)cc(F)cc2C)c1
InChIInChI=1S/C16H16BrFO/c1-9-4-12(8-13(17)5-9)16(19)15-10(2)6-14(18)7-11(15)3/h4-8,16,19H,1-3H3
InChIKeyLZGMUGRYWKYQOV-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.60
Rot. Bonds2

About (3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol

(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol (PubChem CID 106879416) has the molecular formula C16H16BrFO and a molecular weight of 323.21 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
PubChem CID106879416
Molecular FormulaC16H16BrFO
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
SMILESCc1cc(Br)cc(C(O)c2c(C)cc(F)cc2C)c1
InChIInChI=1S/C16H16BrFO/c1-9-4-12(8-13(17)5-9)16(19)15-10(2)6-14(18)7-11(15)3/h4-8,16,19H,1-3H3
InChIKeyLZGMUGRYWKYQOV-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
CID 115793225
(3,5-dibromophenyl)-(2,4,6-trimethylphenyl)methanol
CID 107980714
(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877289
(4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 106879405
(3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol
CID 106945118
(4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 114329914
(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 114979573
1-(3-bromo-5-methylphenyl)ethanol
CID 84680750
(3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 113460971
(3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 104851108
(4-bromo-2,6-difluorophenyl)-(3,5-difluorophenyl)methanol
CID 115793233
(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 107980708

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol?
The IUPAC name of (3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol (CID 106879416) is (3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol?
The canonical SMILES for (3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol is Cc1cc(Br)cc(C(O)c2c(C)cc(F)cc2C)c1.
What is the InChIKey of (3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol?
The InChIKey is LZGMUGRYWKYQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c1-9-4-12(8-13(17)5-9)16(19)15-10(2)6-14(18)7-11(15)3/h4-8,16,19H,1-3H3.
What are the key properties of (3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol?
(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol has a molecular weight of 323.21 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol is sourced from PubChem (CID 106879416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).