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

C9H10BrFO — CID 84696348

IUPAC(2-bromo-3-fluoro-5,6-dimethylphenyl)methanol
SMILESCc1cc(F)c(Br)c(CO)c1C
InChIInChI=1S/C9H10BrFO/c1-5-3-8(11)9(10)7(4-12)6(5)2/h3,12H,4H2,1-2H3
InChIKeyWAUUKZCZMNTTDU-UHFFFAOYSA-N
MW233.08 g/mol
LogP2.70
Rot. Bonds1

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

(2-bromo-3-fluoro-5,6-dimethylphenyl)methanol (PubChem CID 84696348) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is (2-bromo-3-fluoro-5,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-3-fluoro-5,6-dimethylphenyl)methanol
PubChem CID84696348
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name(2-bromo-3-fluoro-5,6-dimethylphenyl)methanol
SMILESCc1cc(F)c(Br)c(CO)c1C
InChIInChI=1S/C9H10BrFO/c1-5-3-8(11)9(10)7(4-12)6(5)2/h3,12H,4H2,1-2H3
InChIKeyWAUUKZCZMNTTDU-UHFFFAOYSA-N
XLogP2.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117409447
(4,5-difluoro-2-methylphenyl)methanol;ethane
CID 154686336
(2-bromo-7-fluoro-4,6-dimethylquinolin-3-yl)methanol
CID 178041010
N-[(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)methyl]hydroxylamine
CID 117414317
1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine
CID 130980809
3-bromo-4-fluoro-2,6-dimethylaniline;ethane
CID 168927832
1-fluoro-2,4,5-trimethyl-3-propylbenzene
CID 146341300
(3-bromo-6-methoxy-2,4-dimethylphenyl)methanol
CID 84802792
[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol
CID 172876855
(2-bromo-3-fluoro-6-iodophenyl)methanol
CID 131332714
(3-methoxy-2,5,6-trimethylphenyl)methanol
CID 130125367
5-bromo-6-fluoro-2,3,8-trimethyl-1H-quinolin-4-one
CID 107593541

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluoro-5,6-dimethylphenyl)methanol?
The IUPAC name of (2-bromo-3-fluoro-5,6-dimethylphenyl)methanol (CID 84696348) is (2-bromo-3-fluoro-5,6-dimethylphenyl)methanol.
What is the SMILES notation for (2-bromo-3-fluoro-5,6-dimethylphenyl)methanol?
The canonical SMILES for (2-bromo-3-fluoro-5,6-dimethylphenyl)methanol is Cc1cc(F)c(Br)c(CO)c1C.
What is the InChIKey of (2-bromo-3-fluoro-5,6-dimethylphenyl)methanol?
The InChIKey is WAUUKZCZMNTTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO/c1-5-3-8(11)9(10)7(4-12)6(5)2/h3,12H,4H2,1-2H3.
What are the key properties of (2-bromo-3-fluoro-5,6-dimethylphenyl)methanol?
(2-bromo-3-fluoro-5,6-dimethylphenyl)methanol has a molecular weight of 233.08 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluoro-5,6-dimethylphenyl)methanol is sourced from PubChem (CID 84696348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).