(2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol

C18H20BrFO — CID 66257836

IUPAC(2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
SMILESCCC(C)(C)c1ccc(C(O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C18H20BrFO/c1-4-18(2,3)13-7-5-12(6-8-13)17(21)15-10-9-14(20)11-16(15)19/h5-11,17,21H,4H2,1-3H3
InChIKeyKEZWCNYTWAVZOP-UHFFFAOYSA-N
MW351.26 g/mol
LogP5.36
Rot. Bonds4

About (2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol

(2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol (PubChem CID 66257836) has the molecular formula C18H20BrFO and a molecular weight of 351.26 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
PubChem CID66257836
Molecular FormulaC18H20BrFO
Molecular Weight351.26 g/mol
Exact Mass350.07
IUPAC Name(2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
SMILESCCC(C)(C)c1ccc(C(O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C18H20BrFO/c1-4-18(2,3)13-7-5-12(6-8-13)17(21)15-10-9-14(20)11-16(15)19/h5-11,17,21H,4H2,1-3H3
InChIKeyKEZWCNYTWAVZOP-UHFFFAOYSA-N
XLogP5.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.26
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol with MolForge

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Related Compounds

(2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol
CID 63427122
1-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-2,4-difluorobenzene
CID 66260161
(2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol
CID 115796740
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61101513
(2,3-difluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66257837
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66260153
2-bromo-1-[bromo-(4-tert-butylphenyl)methyl]-4-fluorobenzene
CID 63440057
(5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 107964313
1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 115786608
(5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66260156
2-bromo-1-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-4-chlorobenzene
CID 107991967
4-bromo-1-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-2-fluorobenzene
CID 66257841

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The IUPAC name of (2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol (CID 66257836) is (2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The canonical SMILES for (2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol is CCC(C)(C)c1ccc(C(O)c2ccc(F)cc2Br)cc1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The InChIKey is KEZWCNYTWAVZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFO/c1-4-18(2,3)13-7-5-12(6-8-13)17(21)15-10-9-14(20)11-16(15)19/h5-11,17,21H,4H2,1-3H3.
What are the key properties of (2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
(2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol has a molecular weight of 351.26 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol is sourced from PubChem (CID 66257836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).