2-ethoxy-2-phenyldecan-1-ol

C18H30O2 — CID 66778528

IUPAC2-ethoxy-2-phenyldecan-1-ol
SMILESCCCCCCCCC(CO)(OCC)c1ccccc1
InChIInChI=1S/C18H30O2/c1-3-5-6-7-8-12-15-18(16-19,20-4-2)17-13-10-9-11-14-17/h9-11,13-14,19H,3-8,12,15-16H2,1-2H3
InChIKeyYMBKSIGTDIMWND-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.66
Rot. Bonds11

About 2-ethoxy-2-phenyldecan-1-ol

2-ethoxy-2-phenyldecan-1-ol (PubChem CID 66778528) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-ethoxy-2-phenyldecan-1-ol.

Molecular Properties

Compound Name2-ethoxy-2-phenyldecan-1-ol
PubChem CID66778528
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name2-ethoxy-2-phenyldecan-1-ol
SMILESCCCCCCCCC(CO)(OCC)c1ccccc1
InChIInChI=1S/C18H30O2/c1-3-5-6-7-8-12-15-18(16-19,20-4-2)17-13-10-9-11-14-17/h9-11,13-14,19H,3-8,12,15-16H2,1-2H3
InChIKeyYMBKSIGTDIMWND-UHFFFAOYSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(7-phenyltridecan-7-ylperoxy)tridecan-7-ylbenzene
CID 154126549
(1-ethoxy-1-phenyldecyl)benzene
CID 150440609
4-(4-phenylpentadecan-4-yloxy)pentadecan-4-ylbenzene
CID 175374768
2-ethyl-2-phenylnonan-1-ol
CID 66057887
2-ethyl-2-phenyldecan-1-ol
CID 66058928
[1,1,1-triethoxy-2-(ethoxymethyl)decan-2-yl]benzene
CID 150875588
15-phenylnonacosan-15-ylbenzene
CID 141310981
2-hexoxy-2-phenylpropan-1-ol
CID 10105542
(2-butoxy-1,1,1-triethoxydecan-2-yl)benzene
CID 151224726
5-phenyltetradecan-5-ol
CID 175223116
5-phenylundecan-5-ol
CID 175525363
5-phenylnonan-5-yl dihydrogen phosphite
CID 126613823

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-phenyldecan-1-ol?
The IUPAC name of 2-ethoxy-2-phenyldecan-1-ol (CID 66778528) is 2-ethoxy-2-phenyldecan-1-ol.
What is the SMILES notation for 2-ethoxy-2-phenyldecan-1-ol?
The canonical SMILES for 2-ethoxy-2-phenyldecan-1-ol is CCCCCCCCC(CO)(OCC)c1ccccc1.
What is the InChIKey of 2-ethoxy-2-phenyldecan-1-ol?
The InChIKey is YMBKSIGTDIMWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-3-5-6-7-8-12-15-18(16-19,20-4-2)17-13-10-9-11-14-17/h9-11,13-14,19H,3-8,12,15-16H2,1-2H3.
What are the key properties of 2-ethoxy-2-phenyldecan-1-ol?
2-ethoxy-2-phenyldecan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 4.66, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-phenyldecan-1-ol is sourced from PubChem (CID 66778528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).