1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol

C20H34O3 — CID 71396064

IUPAC1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol
SMILESCCCCCCCCCc1ccccc1OCCOCC(C)O
InChIInChI=1S/C20H34O3/c1-3-4-5-6-7-8-9-12-19-13-10-11-14-20(19)23-16-15-22-17-18(2)21/h10-11,13-14,18,21H,3-9,12,15-17H2,1-2H3
InChIKeyNOVHVPLNSYUHKN-UHFFFAOYSA-N
MW322.49 g/mol
LogP4.76
Rot. Bonds14

About 1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol

1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol (PubChem CID 71396064) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is 1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol
PubChem CID71396064
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol
SMILESCCCCCCCCCc1ccccc1OCCOCC(C)O
InChIInChI=1S/C20H34O3/c1-3-4-5-6-7-8-9-12-19-13-10-11-14-20(19)23-16-15-22-17-18(2)21/h10-11,13-14,18,21H,3-9,12,15-17H2,1-2H3
InChIKeyNOVHVPLNSYUHKN-UHFFFAOYSA-N
XLogP4.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-octylphenoxy)propan-2-ol
CID 142740915
2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20520040
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
2-(2-dodecylphenoxy)ethanol
CID 14475097
tris(2-hydroxyethyl)-[2-(2-nonylphenoxy)ethyl]azanium
CID 70367612
1-butyl-2-nonoxybenzene
CID 118255282
2-[2-(2-nonylphenoxy)ethoxy]ethyl octadecanoate
CID 3023197
2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid
CID 172695363
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol
CID 21315702
1-(2-dodecylphenoxy)ethanol
CID 175113805
sodium;hydride;2-[2-(2-nonylphenoxy)ethoxy]ethyl hydrogen sulfate
CID 173325044

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol?
The IUPAC name of 1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol (CID 71396064) is 1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol.
What is the SMILES notation for 1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol?
The canonical SMILES for 1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol is CCCCCCCCCc1ccccc1OCCOCC(C)O.
What is the InChIKey of 1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol?
The InChIKey is NOVHVPLNSYUHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3/c1-3-4-5-6-7-8-9-12-19-13-10-11-14-20(19)23-16-15-22-17-18(2)21/h10-11,13-14,18,21H,3-9,12,15-17H2,1-2H3.
What are the key properties of 1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol?
1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol has a molecular weight of 322.49 g/mol, XLogP of 4.76, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol is sourced from PubChem (CID 71396064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).