3-(2,6-dichloro-4-methylphenoxy)propan-1-ol

C10H12Cl2O2 — CID 21134420

IUPAC3-(2,6-dichloro-4-methylphenoxy)propan-1-ol
SMILESCc1cc(Cl)c(OCCCO)c(Cl)c1
InChIInChI=1S/C10H12Cl2O2/c1-7-5-8(11)10(9(12)6-7)14-4-2-3-13/h5-6,13H,2-4H2,1H3
InChIKeyPCTCKYHKJAUABD-UHFFFAOYSA-N
MW235.11 g/mol
LogP3.06
Rot. Bonds4

About 3-(2,6-dichloro-4-methylphenoxy)propan-1-ol

3-(2,6-dichloro-4-methylphenoxy)propan-1-ol (PubChem CID 21134420) has the molecular formula C10H12Cl2O2 and a molecular weight of 235.11 g/mol. Its IUPAC name is 3-(2,6-dichloro-4-methylphenoxy)propan-1-ol.

Molecular Properties

Compound Name3-(2,6-dichloro-4-methylphenoxy)propan-1-ol
PubChem CID21134420
Molecular FormulaC10H12Cl2O2
Molecular Weight235.11 g/mol
Exact Mass234.02
IUPAC Name3-(2,6-dichloro-4-methylphenoxy)propan-1-ol
SMILESCc1cc(Cl)c(OCCCO)c(Cl)c1
InChIInChI=1S/C10H12Cl2O2/c1-7-5-8(11)10(9(12)6-7)14-4-2-3-13/h5-6,13H,2-4H2,1H3
InChIKeyPCTCKYHKJAUABD-UHFFFAOYSA-N
XLogP3.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 53.06
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-(2,6-dichloro-4-methylphenoxy)propan-1-ol?
The IUPAC name of 3-(2,6-dichloro-4-methylphenoxy)propan-1-ol (CID 21134420) is 3-(2,6-dichloro-4-methylphenoxy)propan-1-ol.
What is the SMILES notation for 3-(2,6-dichloro-4-methylphenoxy)propan-1-ol?
The canonical SMILES for 3-(2,6-dichloro-4-methylphenoxy)propan-1-ol is Cc1cc(Cl)c(OCCCO)c(Cl)c1.
What is the InChIKey of 3-(2,6-dichloro-4-methylphenoxy)propan-1-ol?
The InChIKey is PCTCKYHKJAUABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2/c1-7-5-8(11)10(9(12)6-7)14-4-2-3-13/h5-6,13H,2-4H2,1H3.
What are the key properties of 3-(2,6-dichloro-4-methylphenoxy)propan-1-ol?
3-(2,6-dichloro-4-methylphenoxy)propan-1-ol has a molecular weight of 235.11 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-4-methylphenoxy)propan-1-ol is sourced from PubChem (CID 21134420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).