(3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol

C17H18BrClO — CID 107955397

IUPAC(3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
SMILESCc1cc(C)c(C)c(C(O)c2cc(Cl)cc(Br)c2)c1C
InChIInChI=1S/C17H18BrClO/c1-9-5-10(2)12(4)16(11(9)3)17(20)13-6-14(18)8-15(19)7-13/h5-8,17,20H,1-4H3
InChIKeyRKSACZHMRUAPHS-UHFFFAOYSA-N
MW353.69 g/mol
LogP5.42
Rot. Bonds2

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

(3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol (PubChem CID 107955397) has the molecular formula C17H18BrClO and a molecular weight of 353.69 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
PubChem CID107955397
Molecular FormulaC17H18BrClO
Molecular Weight353.69 g/mol
Exact Mass352.02
IUPAC Name(3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
SMILESCc1cc(C)c(C)c(C(O)c2cc(Cl)cc(Br)c2)c1C
InChIInChI=1S/C17H18BrClO/c1-9-5-10(2)12(4)16(11(9)3)17(20)13-6-14(18)8-15(19)7-13/h5-8,17,20H,1-4H3
InChIKeyRKSACZHMRUAPHS-UHFFFAOYSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.69
LogP ≤ 55.42
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-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene
CID 107955917
(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 107980708
(4-bromo-3-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 81294910
(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol
CID 114019455
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
3-[chloro-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 107980826
3-[bromo-(3,5-dichlorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63442400
(3,5-dibromophenyl)-(2,4,6-trimethylphenyl)methanol
CID 107980714
1-(3-bromo-5-chlorophenyl)-2-methoxyethanol
CID 107947641
3-[bromo-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 107980891
2-(3-bromo-5-chlorophenyl)propanoyl chloride
CID 57458809

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol?
The IUPAC name of (3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol (CID 107955397) is (3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol is Cc1cc(C)c(C)c(C(O)c2cc(Cl)cc(Br)c2)c1C.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol?
The InChIKey is RKSACZHMRUAPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClO/c1-9-5-10(2)12(4)16(11(9)3)17(20)13-6-14(18)8-15(19)7-13/h5-8,17,20H,1-4H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol?
(3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol has a molecular weight of 353.69 g/mol, XLogP of 5.42, 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)-(2,3,5,6-tetramethylphenyl)methanol is sourced from PubChem (CID 107955397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).