(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol

C18H20Br2O — CID 107980708

IUPAC(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
SMILESCc1c(C)c(C)c(C(O)c2cc(Br)cc(Br)c2)c(C)c1C
InChIInChI=1S/C18H20Br2O/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
InChIKeyFWTIDOHXRYNCLU-UHFFFAOYSA-N
MW412.17 g/mol
LogP5.84
Rot. Bonds2

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

(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol (PubChem CID 107980708) has the molecular formula C18H20Br2O and a molecular weight of 412.17 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
PubChem CID107980708
Molecular FormulaC18H20Br2O
Molecular Weight412.17 g/mol
Exact Mass409.99
IUPAC Name(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
SMILESCc1c(C)c(C)c(C(O)c2cc(Br)cc(Br)c2)c(C)c1C
InChIInChI=1S/C18H20Br2O/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
InChIKeyFWTIDOHXRYNCLU-UHFFFAOYSA-N
XLogP5.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.17
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 107955365
(3,5-dibromophenyl)-(2,4,6-trimethylphenyl)methanol
CID 107980714
(3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 107955397
(4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81293215
(1R)-1-[3-bromo-5-[(1R)-1-hydroxyethyl]phenyl]ethanol
CID 101105298
(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879416
(2,3,4,5,6-pentamethylphenyl)-phenylmethanol
CID 2803280
(2,4-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 107955363
(3,5-dibromophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 107978317
(3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 107978788
(3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol
CID 106945118
(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
CID 115793225

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The IUPAC name of (3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol (CID 107980708) is (3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol.
What is the SMILES notation for (3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The canonical SMILES for (3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol is Cc1c(C)c(C)c(C(O)c2cc(Br)cc(Br)c2)c(C)c1C.
What is the InChIKey of (3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The InChIKey is FWTIDOHXRYNCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Br2O/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 (3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol?
(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol has a molecular weight of 412.17 g/mol, XLogP of 5.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol is sourced from PubChem (CID 107980708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).