4-(1,1,1-triethoxydecan-2-yloxy)phenol

C22H38O5 — CID 150429547

IUPAC4-(1,1,1-triethoxydecan-2-yloxy)phenol
SMILESCCCCCCCCC(Oc1ccc(O)cc1)C(OCC)(OCC)OCC
InChIInChI=1S/C22H38O5/c1-5-9-10-11-12-13-14-21(27-20-17-15-19(23)16-18-20)22(24-6-2,25-7-3)26-8-4/h15-18,21,23H,5-14H2,1-4H3
InChIKeyHJMPJWWUFDNCEX-UHFFFAOYSA-N
MW382.54 g/mol
LogP5.65
Rot. Bonds16

About 4-(1,1,1-triethoxydecan-2-yloxy)phenol

4-(1,1,1-triethoxydecan-2-yloxy)phenol (PubChem CID 150429547) has the molecular formula C22H38O5 and a molecular weight of 382.54 g/mol. Its IUPAC name is 4-(1,1,1-triethoxydecan-2-yloxy)phenol.

Molecular Properties

Compound Name4-(1,1,1-triethoxydecan-2-yloxy)phenol
PubChem CID150429547
Molecular FormulaC22H38O5
Molecular Weight382.54 g/mol
Exact Mass382.27
IUPAC Name4-(1,1,1-triethoxydecan-2-yloxy)phenol
SMILESCCCCCCCCC(Oc1ccc(O)cc1)C(OCC)(OCC)OCC
InChIInChI=1S/C22H38O5/c1-5-9-10-11-12-13-14-21(27-20-17-15-19(23)16-18-20)22(24-6-2,25-7-3)26-8-4/h15-18,21,23H,5-14H2,1-4H3
InChIKeyHJMPJWWUFDNCEX-UHFFFAOYSA-N
XLogP5.65
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.54
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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4-[4-(1-hydroxyhexoxy)phenyl]phenol
CID 22712995
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4-(8-ethyl-7,7-dimethyloctadecan-6-yl)oxybenzoic acid
CID 175121768
4-[(5S)-dodecan-5-yl]oxybenzoic acid
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4-[2-[2-hydroxy-6-(triethoxymethyl)tetradecoxy]ethyl]phenol
CID 150956791
1,1,1-trifluoropentadecan-2-yloxybenzene
CID 141219706
4-[3-(3-ethoxypentan-3-yl)undecyl]phenol
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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1-triethoxydecan-2-yloxy)phenol?
The IUPAC name of 4-(1,1,1-triethoxydecan-2-yloxy)phenol (CID 150429547) is 4-(1,1,1-triethoxydecan-2-yloxy)phenol.
What is the SMILES notation for 4-(1,1,1-triethoxydecan-2-yloxy)phenol?
The canonical SMILES for 4-(1,1,1-triethoxydecan-2-yloxy)phenol is CCCCCCCCC(Oc1ccc(O)cc1)C(OCC)(OCC)OCC.
What is the InChIKey of 4-(1,1,1-triethoxydecan-2-yloxy)phenol?
The InChIKey is HJMPJWWUFDNCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O5/c1-5-9-10-11-12-13-14-21(27-20-17-15-19(23)16-18-20)22(24-6-2,25-7-3)26-8-4/h15-18,21,23H,5-14H2,1-4H3.
What are the key properties of 4-(1,1,1-triethoxydecan-2-yloxy)phenol?
4-(1,1,1-triethoxydecan-2-yloxy)phenol has a molecular weight of 382.54 g/mol, XLogP of 5.65, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1-triethoxydecan-2-yloxy)phenol is sourced from PubChem (CID 150429547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).