1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol

C13H19ClO2 — CID 116711926

IUPAC1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol
SMILESCOC(C(C)C)C(O)Cc1ccccc1Cl
InChIInChI=1S/C13H19ClO2/c1-9(2)13(16-3)12(15)8-10-6-4-5-7-11(10)14/h4-7,9,12-13,15H,8H2,1-3H3
InChIKeyMNMJPSOYJVSHQH-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.91
Rot. Bonds5

About 1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol

1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol (PubChem CID 116711926) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol
PubChem CID116711926
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol
SMILESCOC(C(C)C)C(O)Cc1ccccc1Cl
InChIInChI=1S/C13H19ClO2/c1-9(2)13(16-3)12(15)8-10-6-4-5-7-11(10)14/h4-7,9,12-13,15H,8H2,1-3H3
InChIKeyMNMJPSOYJVSHQH-UHFFFAOYSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol
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CID 103312429
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
6-(2-chlorophenyl)-2-methylhexan-3-ol
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(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
1-(2-chlorophenyl)pent-4-yn-2-ol
CID 62232785
4-(2-chlorophenyl)-3-methylbutan-2-one
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CID 61373626

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol?
The IUPAC name of 1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol (CID 116711926) is 1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol?
The canonical SMILES for 1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol is COC(C(C)C)C(O)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol?
The InChIKey is MNMJPSOYJVSHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-9(2)13(16-3)12(15)8-10-6-4-5-7-11(10)14/h4-7,9,12-13,15H,8H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol?
1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol has a molecular weight of 242.75 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol is sourced from PubChem (CID 116711926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).