2-bromo-6-ethyl-4-[(4-propan-2-ylphenyl)methyl]phenol

C18H21BrO — CID 23319418

IUPAC2-bromo-6-ethyl-4-[(4-propan-2-ylphenyl)methyl]phenol
SMILESCCc1cc(Cc2ccc(C(C)C)cc2)cc(Br)c1O
InChIInChI=1S/C18H21BrO/c1-4-15-10-14(11-17(19)18(15)20)9-13-5-7-16(8-6-13)12(2)3/h5-8,10-12,20H,4,9H2,1-3H3
InChIKeyKCHONCRDQKJDBR-UHFFFAOYSA-N
MW333.27 g/mol
LogP5.43
Rot. Bonds4

About 2-bromo-6-ethyl-4-[(4-propan-2-ylphenyl)methyl]phenol

2-bromo-6-ethyl-4-[(4-propan-2-ylphenyl)methyl]phenol (PubChem CID 23319418) has the molecular formula C18H21BrO and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-bromo-6-ethyl-4-[(4-propan-2-ylphenyl)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-ethyl-4-[(4-propan-2-ylphenyl)methyl]phenol
PubChem CID23319418
Molecular FormulaC18H21BrO
Molecular Weight333.27 g/mol
Exact Mass332.08
IUPAC Name2-bromo-6-ethyl-4-[(4-propan-2-ylphenyl)methyl]phenol
SMILESCCc1cc(Cc2ccc(C(C)C)cc2)cc(Br)c1O
InChIInChI=1S/C18H21BrO/c1-4-15-10-14(11-17(19)18(15)20)9-13-5-7-16(8-6-13)12(2)3/h5-8,10-12,20H,4,9H2,1-3H3
InChIKeyKCHONCRDQKJDBR-UHFFFAOYSA-N
XLogP5.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.27
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol
CID 22999667
1-(bromomethyl)-4-propan-2-ylbenzene;propanoic acid
CID 175500181
2-ethyl-5-propan-2-ylphenol
CID 45096246
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
2-amino-3-(3-bromo-5-ethyl-2-hydroxyphenyl)propanoic acid
CID 117464879
N-(2-bromo-4-ethylphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 53268011
2-bromo-4-(chloromethyl)-1-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63536071
2-bromo-4-[(4-ethyl-2,6-dimethylphenyl)methyl]-6-propan-2-ylphenol
CID 174546335
2-bromo-4-tert-butyl-6-ethylphenol
CID 12857381
2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60673925
(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine
CID 174082683
4-[[3,5-di(propan-2-yl)phenyl]methyl]-2-(2-methylpropyl)-6-propan-2-ylphenol;ethane
CID 143504508

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethyl-4-[(4-propan-2-ylphenyl)methyl]phenol?
The IUPAC name of 2-bromo-6-ethyl-4-[(4-propan-2-ylphenyl)methyl]phenol (CID 23319418) is 2-bromo-6-ethyl-4-[(4-propan-2-ylphenyl)methyl]phenol.
What is the SMILES notation for 2-bromo-6-ethyl-4-[(4-propan-2-ylphenyl)methyl]phenol?
The canonical SMILES for 2-bromo-6-ethyl-4-[(4-propan-2-ylphenyl)methyl]phenol is CCc1cc(Cc2ccc(C(C)C)cc2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-ethyl-4-[(4-propan-2-ylphenyl)methyl]phenol?
The InChIKey is KCHONCRDQKJDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO/c1-4-15-10-14(11-17(19)18(15)20)9-13-5-7-16(8-6-13)12(2)3/h5-8,10-12,20H,4,9H2,1-3H3.
What are the key properties of 2-bromo-6-ethyl-4-[(4-propan-2-ylphenyl)methyl]phenol?
2-bromo-6-ethyl-4-[(4-propan-2-ylphenyl)methyl]phenol has a molecular weight of 333.27 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethyl-4-[(4-propan-2-ylphenyl)methyl]phenol is sourced from PubChem (CID 23319418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).