2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

C21H26Cl2O — CID 2799

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IUPAC2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H26Cl2O/c1-20(2,3)13-21(4,5)16-7-9-19(24)15(11-16)10-14-6-8-17(22)12-18(14)23/h6-9,11-12,24H,10,13H2,1-5H3
InChIKeyHQVZOORKDNCGCK-UHFFFAOYSA-N
MW365.34 g/mol
LogP7.00
Rot. Bonds4

About 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 2799) has the molecular formula C21H26Cl2O and a molecular weight of 365.34 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID2799
Molecular FormulaC21H26Cl2O
Molecular Weight365.34 g/mol
Exact Mass364.14
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H26Cl2O/c1-20(2,3)13-21(4,5)16-7-9-19(24)15(11-16)10-14-6-8-17(22)12-18(14)23/h6-9,11-12,24H,10,13H2,1-5H3
InChIKeyHQVZOORKDNCGCK-UHFFFAOYSA-N
XLogP7.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.34
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-Chloro-4-biphenylol
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2,5-Dichloro-4'-biphenylol
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(1,1'-Biphenyl)-2-ol, 4'-chloro-
CID 182402
[1,1'-Biphenyl]-4-ol, 3-(1,1-dimethylethyl)-
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(2E)-3-{3-chloro-4-[3-(3-ethylpentan-3-yl)-4-hydroxyphenyl]phenyl}prop-2-enoic acid
CID 23577107
4-[2-(4-Chloro-phenyl)-vinyl]-2,6-dimethyl-phenol
CID 14771910
4-[1-(4-Chloro-phenyl)-1-methyl-ethyl]-phenol
CID 1992009
4-(3-Chlorophenyl)-2-methylphenol
CID 44450633
2-(1,1-Dimethylethyl)-4-(1-methyl-1-phenylethyl)phenol
CID 92053

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 2799) is 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is HQVZOORKDNCGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2O/c1-20(2,3)13-21(4,5)16-7-9-19(24)15(11-16)10-14-6-8-17(22)12-18(14)23/h6-9,11-12,24H,10,13H2,1-5H3.
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 365.34 g/mol, XLogP of 7.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 2799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).