4-[(4-bromo-2,6-dichlorophenyl)methyl]-2-propan-2-ylphenol

C16H15BrCl2O — CID 162522320

IUPAC4-[(4-bromo-2,6-dichlorophenyl)methyl]-2-propan-2-ylphenol
SMILESCC(C)c1cc(Cc2c(Cl)cc(Br)cc2Cl)ccc1O
InChIInChI=1S/C16H15BrCl2O/c1-9(2)12-5-10(3-4-16(12)20)6-13-14(18)7-11(17)8-15(13)19/h3-5,7-9,20H,6H2,1-2H3
InChIKeyKFMPYFFOJVWCIY-UHFFFAOYSA-N
MW374.11 g/mol
LogP6.18
Rot. Bonds3

About 4-[(4-bromo-2,6-dichlorophenyl)methyl]-2-propan-2-ylphenol

4-[(4-bromo-2,6-dichlorophenyl)methyl]-2-propan-2-ylphenol (PubChem CID 162522320) has the molecular formula C16H15BrCl2O and a molecular weight of 374.11 g/mol. Its IUPAC name is 4-[(4-bromo-2,6-dichlorophenyl)methyl]-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-[(4-bromo-2,6-dichlorophenyl)methyl]-2-propan-2-ylphenol
PubChem CID162522320
Molecular FormulaC16H15BrCl2O
Molecular Weight374.11 g/mol
Exact Mass371.97
IUPAC Name4-[(4-bromo-2,6-dichlorophenyl)methyl]-2-propan-2-ylphenol
SMILESCC(C)c1cc(Cc2c(Cl)cc(Br)cc2Cl)ccc1O
InChIInChI=1S/C16H15BrCl2O/c1-9(2)12-5-10(3-4-16(12)20)6-13-14(18)7-11(17)8-15(13)19/h3-5,7-9,20H,6H2,1-2H3
InChIKeyKFMPYFFOJVWCIY-UHFFFAOYSA-N
XLogP6.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.11
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenyl]-2-methylprop-2-enoic acid;ethane
CID 162522712
(E)-3-[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenyl]prop-2-enoic acid
CID 162522770
2-[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenyl]sulfinylacetic acid
CID 162522810
4-[[2,6-dichloro-4-(1,1-difluoro-2-hydroxyprop-2-enoxy)phenyl]methyl]-2-propan-2-ylphenol
CID 162522654
2-[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]acetohydrazide
CID 139426720
2-[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-propan-2-ylacetamide
CID 166119149
[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenyl]peroxy-pentan-3-ylphosphinic acid
CID 90722594
4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol
CID 67041844
2-[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-(2-fluoroethyl)acetamide
CID 139426657
2-[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 139426677
2-[[3-chloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-5-methylphenyl]methylsulfanyl]acetic acid
CID 162522675
N-cyclobutyl-2-[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]acetamide
CID 166119164

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2,6-dichlorophenyl)methyl]-2-propan-2-ylphenol?
The IUPAC name of 4-[(4-bromo-2,6-dichlorophenyl)methyl]-2-propan-2-ylphenol (CID 162522320) is 4-[(4-bromo-2,6-dichlorophenyl)methyl]-2-propan-2-ylphenol.
What is the SMILES notation for 4-[(4-bromo-2,6-dichlorophenyl)methyl]-2-propan-2-ylphenol?
The canonical SMILES for 4-[(4-bromo-2,6-dichlorophenyl)methyl]-2-propan-2-ylphenol is CC(C)c1cc(Cc2c(Cl)cc(Br)cc2Cl)ccc1O.
What is the InChIKey of 4-[(4-bromo-2,6-dichlorophenyl)methyl]-2-propan-2-ylphenol?
The InChIKey is KFMPYFFOJVWCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2O/c1-9(2)12-5-10(3-4-16(12)20)6-13-14(18)7-11(17)8-15(13)19/h3-5,7-9,20H,6H2,1-2H3.
What are the key properties of 4-[(4-bromo-2,6-dichlorophenyl)methyl]-2-propan-2-ylphenol?
4-[(4-bromo-2,6-dichlorophenyl)methyl]-2-propan-2-ylphenol has a molecular weight of 374.11 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2,6-dichlorophenyl)methyl]-2-propan-2-ylphenol is sourced from PubChem (CID 162522320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).