2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol

C17H18Cl2O — CID 66057630

IUPAC2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CC(CO)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H18Cl2O/c1-12-5-2-3-6-14(12)9-13(11-20)10-15-16(18)7-4-8-17(15)19/h2-8,13,20H,9-11H2,1H3
InChIKeyOTBPHUISPFZNLH-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.70
Rot. Bonds5

About 2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol

2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol (PubChem CID 66057630) has the molecular formula C17H18Cl2O and a molecular weight of 309.24 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
PubChem CID66057630
Molecular FormulaC17H18Cl2O
Molecular Weight309.24 g/mol
Exact Mass308.07
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CC(CO)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H18Cl2O/c1-12-5-2-3-6-14(12)9-13(11-20)10-15-16(18)7-4-8-17(15)19/h2-8,13,20H,9-11H2,1H3
InChIKeyOTBPHUISPFZNLH-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 114934852
1-chloro-2-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66049897
1-(2,6-dichlorophenyl)-2-(2-methylphenyl)ethanol
CID 63016225
2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 107309626
2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060157
2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-dichlorobenzene
CID 66042144
2-chloro-3-(2-chloro-6-methylphenyl)propan-1-ol
CID 70611022
5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol
CID 66059935
2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol
CID 107310710
2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 102858638
1-(3-chloro-2-fluorophenyl)-3-(2-methylphenyl)propan-2-ol
CID 82803418
2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060375

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol (CID 66057630) is 2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol is Cc1ccccc1CC(CO)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol?
The InChIKey is OTBPHUISPFZNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O/c1-12-5-2-3-6-14(12)9-13(11-20)10-15-16(18)7-4-8-17(15)19/h2-8,13,20H,9-11H2,1H3.
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol?
2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol has a molecular weight of 309.24 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 66057630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).