3-methylbutyl-bis(3-methylphenoxy)phosphane

C19H25O2P — CID 175546622

IUPAC3-methylbutyl-bis(3-methylphenoxy)phosphane
SMILESCc1cccc(OP(CCC(C)C)Oc2cccc(C)c2)c1
InChIInChI=1S/C19H25O2P/c1-15(2)11-12-22(20-18-9-5-7-16(3)13-18)21-19-10-6-8-17(4)14-19/h5-10,13-15H,11-12H2,1-4H3
InChIKeyGYRVYHOIRAQFOS-UHFFFAOYSA-N
MW316.38 g/mol
LogP6.12
Rot. Bonds7

About 3-methylbutyl-bis(3-methylphenoxy)phosphane

3-methylbutyl-bis(3-methylphenoxy)phosphane (PubChem CID 175546622) has the molecular formula C19H25O2P and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-methylbutyl-bis(3-methylphenoxy)phosphane.

Molecular Properties

Compound Name3-methylbutyl-bis(3-methylphenoxy)phosphane
PubChem CID175546622
Molecular FormulaC19H25O2P
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name3-methylbutyl-bis(3-methylphenoxy)phosphane
SMILESCc1cccc(OP(CCC(C)C)Oc2cccc(C)c2)c1
InChIInChI=1S/C19H25O2P/c1-15(2)11-12-22(20-18-9-5-7-16(3)13-18)21-19-10-6-8-17(4)14-19/h5-10,13-15H,11-12H2,1-4H3
InChIKeyGYRVYHOIRAQFOS-UHFFFAOYSA-N
XLogP6.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.38
LogP ≤ 56.12
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

bis(3-methylphenoxy)-propylphosphane
CID 175546561
bis(3-methylphenoxy)-propan-2-ylphosphane
CID 175546756
(3-methylphenyl) 4-methylpentanoate
CID 78776851
6-methyl-1-(3-methylphenoxy)heptan-3-ol
CID 105085561
chloro-methoxy-(3-methylphenoxy)phosphane
CID 175546634
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605
[6-methyl-1-(3-methylphenoxy)heptan-3-yl]hydrazine
CID 105294303
1-hexan-2-yloxy-3-methylbenzene
CID 58153502
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
CID 46764187
(2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine
CID 93237376
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl-bis(3-methylphenoxy)phosphane?
The IUPAC name of 3-methylbutyl-bis(3-methylphenoxy)phosphane (CID 175546622) is 3-methylbutyl-bis(3-methylphenoxy)phosphane.
What is the SMILES notation for 3-methylbutyl-bis(3-methylphenoxy)phosphane?
The canonical SMILES for 3-methylbutyl-bis(3-methylphenoxy)phosphane is Cc1cccc(OP(CCC(C)C)Oc2cccc(C)c2)c1.
What is the InChIKey of 3-methylbutyl-bis(3-methylphenoxy)phosphane?
The InChIKey is GYRVYHOIRAQFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25O2P/c1-15(2)11-12-22(20-18-9-5-7-16(3)13-18)21-19-10-6-8-17(4)14-19/h5-10,13-15H,11-12H2,1-4H3.
What are the key properties of 3-methylbutyl-bis(3-methylphenoxy)phosphane?
3-methylbutyl-bis(3-methylphenoxy)phosphane has a molecular weight of 316.38 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl-bis(3-methylphenoxy)phosphane is sourced from PubChem (CID 175546622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).