2-[2-(2,5-diethylphospholan-1-yl)phenyl]-1,3-dioxolane

C17H25O2P — CID 91988659

IUPAC2-[2-(2,5-diethylphospholan-1-yl)phenyl]-1,3-dioxolane
SMILESCCC1CCC(CC)P1c1ccccc1C1OCCO1
InChIInChI=1S/C17H25O2P/c1-3-13-9-10-14(4-2)20(13)16-8-6-5-7-15(16)17-18-11-12-19-17/h5-8,13-14,17H,3-4,9-12H2,1-2H3
InChIKeyUKBFKBMQNUOKTD-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.19
Rot. Bonds4

About 2-[2-(2,5-diethylphospholan-1-yl)phenyl]-1,3-dioxolane

2-[2-(2,5-diethylphospholan-1-yl)phenyl]-1,3-dioxolane (PubChem CID 91988659) has the molecular formula C17H25O2P and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[2-(2,5-diethylphospholan-1-yl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(2,5-diethylphospholan-1-yl)phenyl]-1,3-dioxolane
PubChem CID91988659
Molecular FormulaC17H25O2P
Molecular Weight292.36 g/mol
Exact Mass292.16
IUPAC Name2-[2-(2,5-diethylphospholan-1-yl)phenyl]-1,3-dioxolane
SMILESCCC1CCC(CC)P1c1ccccc1C1OCCO1
InChIInChI=1S/C17H25O2P/c1-3-13-9-10-14(4-2)20(13)16-8-6-5-7-15(16)17-18-11-12-19-17/h5-8,13-14,17H,3-4,9-12H2,1-2H3
InChIKeyUKBFKBMQNUOKTD-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;ruthenium(2+);dibromide
CID 11635863
(5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate
CID 171038732
3-[2-(1,3-dioxolan-2-yl)phenyl]pentan-3-ol
CID 15447749
2-(4-propylnaphthalen-1-yl)-1,3-dioxolane
CID 59092303
2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane
CID 169081956
2-[2-[2-(1,3-dioxolan-2-yl)phenyl]tellanylphenyl]-1,3-dioxolane
CID 3059910
2-(1,3-dioxolan-2-yl)-N,N-diphenylaniline
CID 68659373
2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid
CID 10262496
2-[2-[(2-ethylphenoxy)methyl]phenyl]-1,3-dioxolane
CID 67069160
4-[2-(1,3-dioxolan-2-yl)phenyl]but-3-en-1-amine
CID 170487615
2-[2-(1-nitroethyl)phenyl]-1,3-dioxolane
CID 121219360
2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane
CID 66692910

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-diethylphospholan-1-yl)phenyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(2,5-diethylphospholan-1-yl)phenyl]-1,3-dioxolane (CID 91988659) is 2-[2-(2,5-diethylphospholan-1-yl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(2,5-diethylphospholan-1-yl)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(2,5-diethylphospholan-1-yl)phenyl]-1,3-dioxolane is CCC1CCC(CC)P1c1ccccc1C1OCCO1.
What is the InChIKey of 2-[2-(2,5-diethylphospholan-1-yl)phenyl]-1,3-dioxolane?
The InChIKey is UKBFKBMQNUOKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25O2P/c1-3-13-9-10-14(4-2)20(13)16-8-6-5-7-15(16)17-18-11-12-19-17/h5-8,13-14,17H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[2-(2,5-diethylphospholan-1-yl)phenyl]-1,3-dioxolane?
2-[2-(2,5-diethylphospholan-1-yl)phenyl]-1,3-dioxolane has a molecular weight of 292.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-diethylphospholan-1-yl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 91988659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).