2-(ethoxymethoxy)-3-(2-methylpropyl)phenol

C13H20O3 — CID 11345115

IUPAC2-(ethoxymethoxy)-3-(2-methylpropyl)phenol
SMILESCCOCOc1c(O)cccc1CC(C)C
InChIInChI=1S/C13H20O3/c1-4-15-9-16-13-11(8-10(2)3)6-5-7-12(13)14/h5-7,10,14H,4,8-9H2,1-3H3
InChIKeyLELJWBOAAOXCNL-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.96
Rot. Bonds6

About 2-(ethoxymethoxy)-3-(2-methylpropyl)phenol

2-(ethoxymethoxy)-3-(2-methylpropyl)phenol (PubChem CID 11345115) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(ethoxymethoxy)-3-(2-methylpropyl)phenol.

Molecular Properties

Compound Name2-(ethoxymethoxy)-3-(2-methylpropyl)phenol
PubChem CID11345115
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-(ethoxymethoxy)-3-(2-methylpropyl)phenol
SMILESCCOCOc1c(O)cccc1CC(C)C
InChIInChI=1S/C13H20O3/c1-4-15-9-16-13-11(8-10(2)3)6-5-7-12(13)14/h5-7,10,14H,4,8-9H2,1-3H3
InChIKeyLELJWBOAAOXCNL-UHFFFAOYSA-N
XLogP2.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[2-(ethoxymethoxy)-3-iodophenyl]butane-2,3-diol
CID 172834357
2-(2-methylpropyl)phenol;propane
CID 158609255
N-[[2-(ethoxymethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65369404
N-[[3-bromo-2-(ethoxymethoxy)phenyl]methyl]propan-2-amine
CID 65369454
1-bromo-3-[4-[3-bromo-2-(ethoxymethoxy)phenyl]butyl]-2-(ethoxymethoxy)benzene
CID 164911940
2-[2-(ethoxymethoxy)-3-[(2R,3R)-4-[2-(ethoxymethoxy)-3-(2,4,6-trimethylphenyl)phenyl]-2,3-bis(2-methylprop-2-enoxy)butyl]phenyl]-1,3,5-trimethylbenzene
CID 164911900
2-methoxy-1-methyl-3-(2-methylpropyl)benzene
CID 14665596
2-butoxy-3-ethylphenol
CID 67732111
2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid
CID 18705334
N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 65369676
2-decyl-3-(2-methylpropyl)phenol
CID 159869445
5-(2-methylpropyl)naphthalen-1-amine
CID 134233133

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethoxy)-3-(2-methylpropyl)phenol?
The IUPAC name of 2-(ethoxymethoxy)-3-(2-methylpropyl)phenol (CID 11345115) is 2-(ethoxymethoxy)-3-(2-methylpropyl)phenol.
What is the SMILES notation for 2-(ethoxymethoxy)-3-(2-methylpropyl)phenol?
The canonical SMILES for 2-(ethoxymethoxy)-3-(2-methylpropyl)phenol is CCOCOc1c(O)cccc1CC(C)C.
What is the InChIKey of 2-(ethoxymethoxy)-3-(2-methylpropyl)phenol?
The InChIKey is LELJWBOAAOXCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-15-9-16-13-11(8-10(2)3)6-5-7-12(13)14/h5-7,10,14H,4,8-9H2,1-3H3.
What are the key properties of 2-(ethoxymethoxy)-3-(2-methylpropyl)phenol?
2-(ethoxymethoxy)-3-(2-methylpropyl)phenol has a molecular weight of 224.30 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethoxy)-3-(2-methylpropyl)phenol is sourced from PubChem (CID 11345115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).