(3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol

C18H20BrClO — CID 107955365

IUPAC(3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
SMILESCc1c(C)c(C)c(C(O)c2cc(Cl)cc(Br)c2)c(C)c1C
InChIInChI=1S/C18H20BrClO/c1-9-10(2)12(4)17(13(5)11(9)3)18(21)14-6-15(19)8-16(20)7-14/h6-8,18,21H,1-5H3
InChIKeyNKSZDYPJTBQNKU-UHFFFAOYSA-N
MW367.71 g/mol
LogP5.73
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol

(3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol (PubChem CID 107955365) has the molecular formula C18H20BrClO and a molecular weight of 367.71 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
PubChem CID107955365
Molecular FormulaC18H20BrClO
Molecular Weight367.71 g/mol
Exact Mass366.04
IUPAC Name(3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
SMILESCc1c(C)c(C)c(C(O)c2cc(Cl)cc(Br)c2)c(C)c1C
InChIInChI=1S/C18H20BrClO/c1-9-10(2)12(4)17(13(5)11(9)3)18(21)14-6-15(19)8-16(20)7-14/h6-8,18,21H,1-5H3
InChIKeyNKSZDYPJTBQNKU-UHFFFAOYSA-N
XLogP5.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.71
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 107955397
(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 107980708
(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol
CID 114019455
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
(4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81293215
3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene
CID 107955917
(3-bromo-5-chlorophenyl)-(2-chlorophenyl)methanol
CID 107947286
(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol
CID 107947461
(3,5-dibromophenyl)-(2,4,6-trimethylphenyl)methanol
CID 107980714
(3-bromo-5-chlorophenyl)-(furan-3-yl)methanol
CID 107947484
(3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol
CID 107947817
(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107955776

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The IUPAC name of (3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol (CID 107955365) is (3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol is Cc1c(C)c(C)c(C(O)c2cc(Cl)cc(Br)c2)c(C)c1C.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The InChIKey is NKSZDYPJTBQNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClO/c1-9-10(2)12(4)17(13(5)11(9)3)18(21)14-6-15(19)8-16(20)7-14/h6-8,18,21H,1-5H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol?
(3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol has a molecular weight of 367.71 g/mol, XLogP of 5.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol is sourced from PubChem (CID 107955365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).