2-(1,1-diethoxy-2-ethyldecyl)phenol

C22H38O3 — CID 151998157

IUPAC2-(1,1-diethoxy-2-ethyldecyl)phenol
SMILESCCCCCCCCC(CC)C(OCC)(OCC)c1ccccc1O
InChIInChI=1S/C22H38O3/c1-5-9-10-11-12-13-16-19(6-2)22(24-7-3,25-8-4)20-17-14-15-18-21(20)23/h14-15,17-19,23H,5-13,16H2,1-4H3
InChIKeyUGCQHSZCLZQYDJ-UHFFFAOYSA-N
MW350.54 g/mol
LogP6.39
Rot. Bonds14

About 2-(1,1-diethoxy-2-ethyldecyl)phenol

2-(1,1-diethoxy-2-ethyldecyl)phenol (PubChem CID 151998157) has the molecular formula C22H38O3 and a molecular weight of 350.54 g/mol. Its IUPAC name is 2-(1,1-diethoxy-2-ethyldecyl)phenol.

Molecular Properties

Compound Name2-(1,1-diethoxy-2-ethyldecyl)phenol
PubChem CID151998157
Molecular FormulaC22H38O3
Molecular Weight350.54 g/mol
Exact Mass350.28
IUPAC Name2-(1,1-diethoxy-2-ethyldecyl)phenol
SMILESCCCCCCCCC(CC)C(OCC)(OCC)c1ccccc1O
InChIInChI=1S/C22H38O3/c1-5-9-10-11-12-13-16-19(6-2)22(24-7-3,25-8-4)20-17-14-15-18-21(20)23/h14-15,17-19,23H,5-13,16H2,1-4H3
InChIKeyUGCQHSZCLZQYDJ-UHFFFAOYSA-N
XLogP6.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.54
LogP ≤ 56.39
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

2-[1-(2-hydroxyphenyl)-1,1-dipropoxydecan-2-yl]phenol
CID 151349887
(2,2-diethoxy-3-ethylundecyl)benzene
CID 151495394
2-[2-(2-decylphenyl)butan-2-yl]phenol
CID 67178533
2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol
CID 66866746
(3-ethyl-2-methylnonan-2-yl)benzene
CID 143461703
2-[2-(2-hydroxyphenyl)octan-2-yl]phenol
CID 22402788
5,5-diethoxy-6-ethyltetradecane
CID 150494826
2-(1,1-diphenoxynonyl)phenol
CID 66866946
4-[3-(3-ethoxypentan-3-yl)undecyl]phenol
CID 152630949
2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
CID 12820018
2-(8-ethylpentadecan-8-yl)phenol
CID 87184015

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-diethoxy-2-ethyldecyl)phenol?
The IUPAC name of 2-(1,1-diethoxy-2-ethyldecyl)phenol (CID 151998157) is 2-(1,1-diethoxy-2-ethyldecyl)phenol.
What is the SMILES notation for 2-(1,1-diethoxy-2-ethyldecyl)phenol?
The canonical SMILES for 2-(1,1-diethoxy-2-ethyldecyl)phenol is CCCCCCCCC(CC)C(OCC)(OCC)c1ccccc1O.
What is the InChIKey of 2-(1,1-diethoxy-2-ethyldecyl)phenol?
The InChIKey is UGCQHSZCLZQYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O3/c1-5-9-10-11-12-13-16-19(6-2)22(24-7-3,25-8-4)20-17-14-15-18-21(20)23/h14-15,17-19,23H,5-13,16H2,1-4H3.
What are the key properties of 2-(1,1-diethoxy-2-ethyldecyl)phenol?
2-(1,1-diethoxy-2-ethyldecyl)phenol has a molecular weight of 350.54 g/mol, XLogP of 6.39, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-diethoxy-2-ethyldecyl)phenol is sourced from PubChem (CID 151998157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).