3-(chloromethyl)-2,5,6-triethyl-4-(2-methoxyethoxy)phenol

C16H25ClO3 — CID 19957703

IUPAC3-(chloromethyl)-2,5,6-triethyl-4-(2-methoxyethoxy)phenol
SMILESCCc1c(O)c(CC)c(CCl)c(OCCOC)c1CC
InChIInChI=1S/C16H25ClO3/c1-5-11-13(7-3)16(20-9-8-19-4)14(10-17)12(6-2)15(11)18/h18H,5-10H2,1-4H3
InChIKeyQYMCDLSFOSUFAJ-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.84
Rot. Bonds8

About 3-(chloromethyl)-2,5,6-triethyl-4-(2-methoxyethoxy)phenol

3-(chloromethyl)-2,5,6-triethyl-4-(2-methoxyethoxy)phenol (PubChem CID 19957703) has the molecular formula C16H25ClO3 and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-(chloromethyl)-2,5,6-triethyl-4-(2-methoxyethoxy)phenol.

Molecular Properties

Compound Name3-(chloromethyl)-2,5,6-triethyl-4-(2-methoxyethoxy)phenol
PubChem CID19957703
Molecular FormulaC16H25ClO3
Molecular Weight300.83 g/mol
Exact Mass300.15
IUPAC Name3-(chloromethyl)-2,5,6-triethyl-4-(2-methoxyethoxy)phenol
SMILESCCc1c(O)c(CC)c(CCl)c(OCCOC)c1CC
InChIInChI=1S/C16H25ClO3/c1-5-11-13(7-3)16(20-9-8-19-4)14(10-17)12(6-2)15(11)18/h18H,5-10H2,1-4H3
InChIKeyQYMCDLSFOSUFAJ-UHFFFAOYSA-N
XLogP3.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2,5,6-triethyl-4-(2-methoxyethoxy)phenol?
The IUPAC name of 3-(chloromethyl)-2,5,6-triethyl-4-(2-methoxyethoxy)phenol (CID 19957703) is 3-(chloromethyl)-2,5,6-triethyl-4-(2-methoxyethoxy)phenol.
What is the SMILES notation for 3-(chloromethyl)-2,5,6-triethyl-4-(2-methoxyethoxy)phenol?
The canonical SMILES for 3-(chloromethyl)-2,5,6-triethyl-4-(2-methoxyethoxy)phenol is CCc1c(O)c(CC)c(CCl)c(OCCOC)c1CC.
What is the InChIKey of 3-(chloromethyl)-2,5,6-triethyl-4-(2-methoxyethoxy)phenol?
The InChIKey is QYMCDLSFOSUFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClO3/c1-5-11-13(7-3)16(20-9-8-19-4)14(10-17)12(6-2)15(11)18/h18H,5-10H2,1-4H3.
What are the key properties of 3-(chloromethyl)-2,5,6-triethyl-4-(2-methoxyethoxy)phenol?
3-(chloromethyl)-2,5,6-triethyl-4-(2-methoxyethoxy)phenol has a molecular weight of 300.83 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2,5,6-triethyl-4-(2-methoxyethoxy)phenol is sourced from PubChem (CID 19957703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).