3-(2-chloro-6-methylphenoxy)propan-1-ol

C10H13ClO2 — CID 75445324

IUPAC3-(2-chloro-6-methylphenoxy)propan-1-ol
SMILESCc1cccc(Cl)c1OCCCO
InChIInChI=1S/C10H13ClO2/c1-8-4-2-5-9(11)10(8)13-7-3-6-12/h2,4-5,12H,3,6-7H2,1H3
InChIKeyKJWBURJIOWEUCZ-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.41
Rot. Bonds4

About 3-(2-chloro-6-methylphenoxy)propan-1-ol

3-(2-chloro-6-methylphenoxy)propan-1-ol (PubChem CID 75445324) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 3-(2-chloro-6-methylphenoxy)propan-1-ol.

Molecular Properties

Compound Name3-(2-chloro-6-methylphenoxy)propan-1-ol
PubChem CID75445324
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name3-(2-chloro-6-methylphenoxy)propan-1-ol
SMILESCc1cccc(Cl)c1OCCCO
InChIInChI=1S/C10H13ClO2/c1-8-4-2-5-9(11)10(8)13-7-3-6-12/h2,4-5,12H,3,6-7H2,1H3
InChIKeyKJWBURJIOWEUCZ-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-methylphenoxy)propan-1-ol?
The IUPAC name of 3-(2-chloro-6-methylphenoxy)propan-1-ol (CID 75445324) is 3-(2-chloro-6-methylphenoxy)propan-1-ol.
What is the SMILES notation for 3-(2-chloro-6-methylphenoxy)propan-1-ol?
The canonical SMILES for 3-(2-chloro-6-methylphenoxy)propan-1-ol is Cc1cccc(Cl)c1OCCCO.
What is the InChIKey of 3-(2-chloro-6-methylphenoxy)propan-1-ol?
The InChIKey is KJWBURJIOWEUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-8-4-2-5-9(11)10(8)13-7-3-6-12/h2,4-5,12H,3,6-7H2,1H3.
What are the key properties of 3-(2-chloro-6-methylphenoxy)propan-1-ol?
3-(2-chloro-6-methylphenoxy)propan-1-ol has a molecular weight of 200.66 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-methylphenoxy)propan-1-ol is sourced from PubChem (CID 75445324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).