2-(1,1,1-trimethoxydecan-2-yl)phenol

C19H32O4 — CID 150274664

IUPAC2-(1,1,1-trimethoxydecan-2-yl)phenol
SMILESCCCCCCCCC(c1ccccc1O)C(OC)(OC)OC
InChIInChI=1S/C19H32O4/c1-5-6-7-8-9-10-14-17(19(21-2,22-3)23-4)16-13-11-12-15-18(16)20/h11-13,15,17,20H,5-10,14H2,1-4H3
InChIKeyGEHMYAPRSGDQCC-UHFFFAOYSA-N
MW324.46 g/mol
LogP4.82
Rot. Bonds12

About 2-(1,1,1-trimethoxydecan-2-yl)phenol

2-(1,1,1-trimethoxydecan-2-yl)phenol (PubChem CID 150274664) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is 2-(1,1,1-trimethoxydecan-2-yl)phenol.

Molecular Properties

Compound Name2-(1,1,1-trimethoxydecan-2-yl)phenol
PubChem CID150274664
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Name2-(1,1,1-trimethoxydecan-2-yl)phenol
SMILESCCCCCCCCC(c1ccccc1O)C(OC)(OC)OC
InChIInChI=1S/C19H32O4/c1-5-6-7-8-9-10-14-17(19(21-2,22-3)23-4)16-13-11-12-15-18(16)20/h11-13,15,17,20H,5-10,14H2,1-4H3
InChIKeyGEHMYAPRSGDQCC-UHFFFAOYSA-N
XLogP4.82
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-phenoxy-2-(1,1,1-trimethoxydecan-2-yl)benzene
CID 150211853
2-[1-(2-hydroxyphenyl)-1,1-dipropoxydecan-2-yl]phenol
CID 151349887
2-pentadecan-6-ylphenol
CID 66865451
2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
CID 12820018
2-(9-heptylhenicosan-10-yl)phenol
CID 66867451
2-(1-phenylnonyl)phenol
CID 67177643
2-(10-octyldocosan-11-yl)phenol
CID 66866246
2-(2-methyltetradecan-3-yl)phenol
CID 66867142
formaldehyde;2-tridecan-5-ylphenol
CID 130205554
2-(4-methyldodecan-5-yl)phenol
CID 66867527
2,2-dimethoxyundecan-3-ylbenzene
CID 152553562

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trimethoxydecan-2-yl)phenol?
The IUPAC name of 2-(1,1,1-trimethoxydecan-2-yl)phenol (CID 150274664) is 2-(1,1,1-trimethoxydecan-2-yl)phenol.
What is the SMILES notation for 2-(1,1,1-trimethoxydecan-2-yl)phenol?
The canonical SMILES for 2-(1,1,1-trimethoxydecan-2-yl)phenol is CCCCCCCCC(c1ccccc1O)C(OC)(OC)OC.
What is the InChIKey of 2-(1,1,1-trimethoxydecan-2-yl)phenol?
The InChIKey is GEHMYAPRSGDQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4/c1-5-6-7-8-9-10-14-17(19(21-2,22-3)23-4)16-13-11-12-15-18(16)20/h11-13,15,17,20H,5-10,14H2,1-4H3.
What are the key properties of 2-(1,1,1-trimethoxydecan-2-yl)phenol?
2-(1,1,1-trimethoxydecan-2-yl)phenol has a molecular weight of 324.46 g/mol, XLogP of 4.82, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trimethoxydecan-2-yl)phenol is sourced from PubChem (CID 150274664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).