[4-[3-(2,4-dichlorophenyl)-2-methylpropyl]phenyl]methanol

C17H18Cl2O — CID 142816012

IUPAC[4-[3-(2,4-dichlorophenyl)-2-methylpropyl]phenyl]methanol
SMILESCC(Cc1ccc(CO)cc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2O/c1-12(8-13-2-4-14(11-20)5-3-13)9-15-6-7-16(18)10-17(15)19/h2-7,10,12,20H,8-9,11H2,1H3
InChIKeyUOYPWNXGXYNBKT-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.91
Rot. Bonds5

About [4-[3-(2,4-dichlorophenyl)-2-methylpropyl]phenyl]methanol

[4-[3-(2,4-dichlorophenyl)-2-methylpropyl]phenyl]methanol (PubChem CID 142816012) has the molecular formula C17H18Cl2O and a molecular weight of 309.24 g/mol. Its IUPAC name is [4-[3-(2,4-dichlorophenyl)-2-methylpropyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-(2,4-dichlorophenyl)-2-methylpropyl]phenyl]methanol
PubChem CID142816012
Molecular FormulaC17H18Cl2O
Molecular Weight309.24 g/mol
Exact Mass308.07
IUPAC Name[4-[3-(2,4-dichlorophenyl)-2-methylpropyl]phenyl]methanol
SMILESCC(Cc1ccc(CO)cc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2O/c1-12(8-13-2-4-14(11-20)5-3-13)9-15-6-7-16(18)10-17(15)19/h2-7,10,12,20H,8-9,11H2,1H3
InChIKeyUOYPWNXGXYNBKT-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67212453
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 62605970
2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol
CID 66059189
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(2,4-dichlorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920805
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol
CID 113371994
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414213
3-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]-N,2-dimethylpropan-1-amine
CID 54172269

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2,4-dichlorophenyl)-2-methylpropyl]phenyl]methanol?
The IUPAC name of [4-[3-(2,4-dichlorophenyl)-2-methylpropyl]phenyl]methanol (CID 142816012) is [4-[3-(2,4-dichlorophenyl)-2-methylpropyl]phenyl]methanol.
What is the SMILES notation for [4-[3-(2,4-dichlorophenyl)-2-methylpropyl]phenyl]methanol?
The canonical SMILES for [4-[3-(2,4-dichlorophenyl)-2-methylpropyl]phenyl]methanol is CC(Cc1ccc(CO)cc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [4-[3-(2,4-dichlorophenyl)-2-methylpropyl]phenyl]methanol?
The InChIKey is UOYPWNXGXYNBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O/c1-12(8-13-2-4-14(11-20)5-3-13)9-15-6-7-16(18)10-17(15)19/h2-7,10,12,20H,8-9,11H2,1H3.
What are the key properties of [4-[3-(2,4-dichlorophenyl)-2-methylpropyl]phenyl]methanol?
[4-[3-(2,4-dichlorophenyl)-2-methylpropyl]phenyl]methanol has a molecular weight of 309.24 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2,4-dichlorophenyl)-2-methylpropyl]phenyl]methanol is sourced from PubChem (CID 142816012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).