1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol

C12H16Cl2O2 — CID 62607303

IUPAC1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol
SMILESCCCOCC(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H16Cl2O2/c1-2-6-16-8-9(15)7-10-11(13)4-3-5-12(10)14/h3-5,9,15H,2,6-8H2,1H3
InChIKeyULYUWJFBHJDAPT-UHFFFAOYSA-N
MW263.16 g/mol
LogP3.32
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol

1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol (PubChem CID 62607303) has the molecular formula C12H16Cl2O2 and a molecular weight of 263.16 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol
PubChem CID62607303
Molecular FormulaC12H16Cl2O2
Molecular Weight263.16 g/mol
Exact Mass262.05
IUPAC Name1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol
SMILESCCCOCC(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H16Cl2O2/c1-2-6-16-8-9(15)7-10-11(13)4-3-5-12(10)14/h3-5,9,15H,2,6-8H2,1H3
InChIKeyULYUWJFBHJDAPT-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol
CID 106867286
1-(2-chloro-6-fluorophenyl)-2-propoxyethanol
CID 79567112
[1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105293129
1-(2,6-dichlorophenyl)pentane-2,3-diol
CID 103454648
1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-2-ol
CID 115601600
[1-(2,6-dichlorophenyl)-2-propoxyethyl]hydrazine
CID 105321436
1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol
CID 116711728
1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-ol
CID 65095539
1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 62606541
N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine
CID 82940867
1-(2,6-dichlorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089720
1-(3,4-dichlorophenyl)-2-propoxyethanol
CID 62539379

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol (CID 62607303) is 1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol is CCCOCC(O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol?
The InChIKey is ULYUWJFBHJDAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O2/c1-2-6-16-8-9(15)7-10-11(13)4-3-5-12(10)14/h3-5,9,15H,2,6-8H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol?
1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol has a molecular weight of 263.16 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol is sourced from PubChem (CID 62607303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).