[2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol

C16H26O4 — CID 106453700

IUPAC[2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol
SMILESCCCOc1ccc(CO)c(OCCOCC(C)C)c1
InChIInChI=1S/C16H26O4/c1-4-7-19-15-6-5-14(11-17)16(10-15)20-9-8-18-12-13(2)3/h5-6,10,13,17H,4,7-9,11-12H2,1-3H3
InChIKeyLKIBMNVYYCFLFQ-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.02
Rot. Bonds10

About [2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol

[2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol (PubChem CID 106453700) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is [2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol
PubChem CID106453700
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name[2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol
SMILESCCCOc1ccc(CO)c(OCCOCC(C)C)c1
InChIInChI=1S/C16H26O4/c1-4-7-19-15-6-5-14(11-17)16(10-15)20-9-8-18-12-13(2)3/h5-6,10,13,17H,4,7-9,11-12H2,1-3H3
InChIKeyLKIBMNVYYCFLFQ-UHFFFAOYSA-N
XLogP3.02
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]-4-propoxybenzene
CID 106453976
1-(chloromethyl)-2-[2-(3-methylbutoxy)ethoxy]-4-propoxybenzene
CID 63534676
(2,4-dipentoxyphenyl)methanol
CID 54794877
[2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol
CID 56940895
[4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726141
2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine
CID 60905266
N-[[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449993
2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide
CID 43472225
[4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
CID 61494348
1-(2,4-dipropoxyphenyl)ethanol
CID 82263776
1-(chloromethyl)-4-propoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 61490328
[2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol
CID 159571460

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol?
The IUPAC name of [2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol (CID 106453700) is [2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol.
What is the SMILES notation for [2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol?
The canonical SMILES for [2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol is CCCOc1ccc(CO)c(OCCOCC(C)C)c1.
What is the InChIKey of [2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol?
The InChIKey is LKIBMNVYYCFLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-4-7-19-15-6-5-14(11-17)16(10-15)20-9-8-18-12-13(2)3/h5-6,10,13,17H,4,7-9,11-12H2,1-3H3.
What are the key properties of [2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol?
[2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol has a molecular weight of 282.38 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol is sourced from PubChem (CID 106453700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).