2-(4-chloro-2-methylphenoxy)propan-1-ol

C10H13ClO2 — CID 13259425

IUPAC2-(4-chloro-2-methylphenoxy)propan-1-ol
SMILESCc1cc(Cl)ccc1OC(C)CO
InChIInChI=1S/C10H13ClO2/c1-7-5-9(11)3-4-10(7)13-8(2)6-12/h3-5,8,12H,6H2,1-2H3
InChIKeyWTUCFSCITKWDTP-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.41
Rot. Bonds3

About 2-(4-chloro-2-methylphenoxy)propan-1-ol

2-(4-chloro-2-methylphenoxy)propan-1-ol (PubChem CID 13259425) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)propan-1-ol.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)propan-1-ol
PubChem CID13259425
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name2-(4-chloro-2-methylphenoxy)propan-1-ol
SMILESCc1cc(Cl)ccc1OC(C)CO
InChIInChI=1S/C10H13ClO2/c1-7-5-9(11)3-4-10(7)13-8(2)6-12/h3-5,8,12H,6H2,1-2H3
InChIKeyWTUCFSCITKWDTP-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)propan-1-ol?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)propan-1-ol (CID 13259425) is 2-(4-chloro-2-methylphenoxy)propan-1-ol.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)propan-1-ol?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)propan-1-ol is Cc1cc(Cl)ccc1OC(C)CO.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)propan-1-ol?
The InChIKey is WTUCFSCITKWDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-7-5-9(11)3-4-10(7)13-8(2)6-12/h3-5,8,12H,6H2,1-2H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)propan-1-ol?
2-(4-chloro-2-methylphenoxy)propan-1-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 2-(4-chloro-2-methylphenoxy)propan-1-ol is sourced from PubChem (CID 13259425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).