1-(5-chloro-2-methylphenoxy)propan-2-ol

C10H13ClO2 — CID 21423645

IUPAC1-(5-chloro-2-methylphenoxy)propan-2-ol
SMILESCc1ccc(Cl)cc1OCC(C)O
InChIInChI=1S/C10H13ClO2/c1-7-3-4-9(11)5-10(7)13-6-8(2)12/h3-5,8,12H,6H2,1-2H3
InChIKeyRUPWJVBGZXXVLX-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.41
Rot. Bonds3

About 1-(5-chloro-2-methylphenoxy)propan-2-ol

1-(5-chloro-2-methylphenoxy)propan-2-ol (PubChem CID 21423645) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenoxy)propan-2-ol
PubChem CID21423645
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name1-(5-chloro-2-methylphenoxy)propan-2-ol
SMILESCc1ccc(Cl)cc1OCC(C)O
InChIInChI=1S/C10H13ClO2/c1-7-3-4-9(11)5-10(7)13-6-8(2)12/h3-5,8,12H,6H2,1-2H3
InChIKeyRUPWJVBGZXXVLX-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 106933028
1-chloro-3-(5-chloro-2-methylphenoxy)propan-2-ol
CID 112560845
(2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol
CID 106933009
1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
CID 60903378
2-(5-chloro-2-methylphenoxy)acetamide
CID 65439903
1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol
CID 139797710
4-chloro-1-methyl-2-(2-propan-2-ylsulfonylethoxy)benzene
CID 106732640
4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene
CID 79173911
2-(5-chloro-2-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749564
[4-chloro-2-(2-methylpropoxy)phenyl]boronic acid
CID 53216479
(5-chloro-2-methylphenyl) propanoate
CID 131155608
(2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 9159069

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(5-chloro-2-methylphenoxy)propan-2-ol (CID 21423645) is 1-(5-chloro-2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methylphenoxy)propan-2-ol is Cc1ccc(Cl)cc1OCC(C)O.
What is the InChIKey of 1-(5-chloro-2-methylphenoxy)propan-2-ol?
The InChIKey is RUPWJVBGZXXVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-7-3-4-9(11)5-10(7)13-6-8(2)12/h3-5,8,12H,6H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenoxy)propan-2-ol?
1-(5-chloro-2-methylphenoxy)propan-2-ol has a molecular weight of 200.66 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 21423645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).