3-[4-(2-methylbutan-2-yl)phenoxy]pentan-3-ylphosphane

C16H27OP — CID 167255011

IUPAC3-[4-(2-methylbutan-2-yl)phenoxy]pentan-3-ylphosphane
SMILESCCC(P)(CC)Oc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C16H27OP/c1-6-15(4,5)13-9-11-14(12-10-13)17-16(18,7-2)8-3/h9-12H,6-8,18H2,1-5H3
InChIKeyJLORMFTUFSRLPX-UHFFFAOYSA-N
MW266.36 g/mol
LogP5.14
Rot. Bonds6

About 3-[4-(2-methylbutan-2-yl)phenoxy]pentan-3-ylphosphane

3-[4-(2-methylbutan-2-yl)phenoxy]pentan-3-ylphosphane (PubChem CID 167255011) has the molecular formula C16H27OP and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-[4-(2-methylbutan-2-yl)phenoxy]pentan-3-ylphosphane.

Molecular Properties

Compound Name3-[4-(2-methylbutan-2-yl)phenoxy]pentan-3-ylphosphane
PubChem CID167255011
Molecular FormulaC16H27OP
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name3-[4-(2-methylbutan-2-yl)phenoxy]pentan-3-ylphosphane
SMILESCCC(P)(CC)Oc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C16H27OP/c1-6-15(4,5)13-9-11-14(12-10-13)17-16(18,7-2)8-3/h9-12H,6-8,18H2,1-5H3
InChIKeyJLORMFTUFSRLPX-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.36
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-methylbutan-2-yl)phenyl] cyanate
CID 174165723
1-(2-methylbutan-2-yl)-4-methylsulfanyloxybenzene
CID 143233816
1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
tris[4-(2-methylbutan-2-yl)phenyl]phosphane
CID 12900990
methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium
CID 23463777
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
5-[4-(2-methylbutan-2-yl)phenoxy]pentanenitrile
CID 60673565
1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
CID 20667880
[4-(2-methylbutan-2-yl)phenyl] 4-methoxybenzoate
CID 23010917
(1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol
CID 78944666
4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]benzonitrile
CID 20986224
(1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine
CID 28537427

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylbutan-2-yl)phenoxy]pentan-3-ylphosphane?
The IUPAC name of 3-[4-(2-methylbutan-2-yl)phenoxy]pentan-3-ylphosphane (CID 167255011) is 3-[4-(2-methylbutan-2-yl)phenoxy]pentan-3-ylphosphane.
What is the SMILES notation for 3-[4-(2-methylbutan-2-yl)phenoxy]pentan-3-ylphosphane?
The canonical SMILES for 3-[4-(2-methylbutan-2-yl)phenoxy]pentan-3-ylphosphane is CCC(P)(CC)Oc1ccc(C(C)(C)CC)cc1.
What is the InChIKey of 3-[4-(2-methylbutan-2-yl)phenoxy]pentan-3-ylphosphane?
The InChIKey is JLORMFTUFSRLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27OP/c1-6-15(4,5)13-9-11-14(12-10-13)17-16(18,7-2)8-3/h9-12H,6-8,18H2,1-5H3.
What are the key properties of 3-[4-(2-methylbutan-2-yl)phenoxy]pentan-3-ylphosphane?
3-[4-(2-methylbutan-2-yl)phenoxy]pentan-3-ylphosphane has a molecular weight of 266.36 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylbutan-2-yl)phenoxy]pentan-3-ylphosphane is sourced from PubChem (CID 167255011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).