3-(3-chlorophenoxy)-2-methylpropan-1-ol

C10H13ClO2 — CID 82076436

IUPAC3-(3-chlorophenoxy)-2-methylpropan-1-ol
SMILESCC(CO)COc1cccc(Cl)c1
InChIInChI=1S/C10H13ClO2/c1-8(6-12)7-13-10-4-2-3-9(11)5-10/h2-5,8,12H,6-7H2,1H3
InChIKeyWBPQDGREBUTKPZ-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.35
Rot. Bonds4

About 3-(3-chlorophenoxy)-2-methylpropan-1-ol

3-(3-chlorophenoxy)-2-methylpropan-1-ol (PubChem CID 82076436) has the molecular formula C10H13ClO2 and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-2-methylpropan-1-ol
PubChem CID82076436
Molecular FormulaC10H13ClO2
Molecular Weight200.67 g/mol
Exact Mass200.06
IUPAC Name3-(3-chlorophenoxy)-2-methylpropan-1-ol
SMILESCC(CO)COc1cccc(Cl)c1
InChIInChI=1S/C10H13ClO2/c1-8(6-12)7-13-10-4-2-3-9(11)5-10/h2-5,8,12H,6-7H2,1H3
InChIKeyWBPQDGREBUTKPZ-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
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CID 105077820
3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol
CID 115871138
2-(3-chlorophenoxy)-1-cyclopropylethanol
CID 105105371
2-methyl-3-(3-nitrophenoxy)propan-1-ol
CID 115870764
1-(3-chlorophenoxy)-5-methylhexan-2-amine
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CID 167854837

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-2-methylpropan-1-ol?
The IUPAC name of 3-(3-chlorophenoxy)-2-methylpropan-1-ol (CID 82076436) is 3-(3-chlorophenoxy)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(3-chlorophenoxy)-2-methylpropan-1-ol?
The canonical SMILES for 3-(3-chlorophenoxy)-2-methylpropan-1-ol is CC(CO)COc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenoxy)-2-methylpropan-1-ol?
The InChIKey is WBPQDGREBUTKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-8(6-12)7-13-10-4-2-3-9(11)5-10/h2-5,8,12H,6-7H2,1H3.
What are the key properties of 3-(3-chlorophenoxy)-2-methylpropan-1-ol?
3-(3-chlorophenoxy)-2-methylpropan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-2-methylpropan-1-ol is sourced from PubChem (CID 82076436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).