(6-methylidenecyclohexa-2,4-dien-1-yl)-bis(2-methylphenyl)phosphane

C21H21P — CID 158900940

IUPAC(6-methylidenecyclohexa-2,4-dien-1-yl)-bis(2-methylphenyl)phosphane
SMILESC=C1C=CC=CC1P(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C21H21P/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3/h4-15,19H,1H2,2-3H3
InChIKeyKUBDBJYTNDLWMK-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.79
Rot. Bonds3

About (6-methylidenecyclohexa-2,4-dien-1-yl)-bis(2-methylphenyl)phosphane

(6-methylidenecyclohexa-2,4-dien-1-yl)-bis(2-methylphenyl)phosphane (PubChem CID 158900940) has the molecular formula C21H21P and a molecular weight of 304.37 g/mol. Its IUPAC name is (6-methylidenecyclohexa-2,4-dien-1-yl)-bis(2-methylphenyl)phosphane.

Molecular Properties

Compound Name(6-methylidenecyclohexa-2,4-dien-1-yl)-bis(2-methylphenyl)phosphane
PubChem CID158900940
Molecular FormulaC21H21P
Molecular Weight304.37 g/mol
Exact Mass304.14
IUPAC Name(6-methylidenecyclohexa-2,4-dien-1-yl)-bis(2-methylphenyl)phosphane
SMILESC=C1C=CC=CC1P(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C21H21P/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3/h4-15,19H,1H2,2-3H3
InChIKeyKUBDBJYTNDLWMK-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide
CID 173182255
bis(palladium);bis(tris(2-methylphenyl)phosphane)
CID 175817621
[2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane
CID 90108584
bis(2-methylphenyl)phosphinite
CID 135999862
CID 58850505
CID 58850505
1,1-bis[bis(2-methylphenyl)phosphanyl]butyl-bis(2-methylphenyl)phosphane
CID 90109790
bis(2-methylphenyl)-[1,2,2-tris[bis(2-methylphenyl)phosphanyl]ethyl]phosphane
CID 91385138
5-benzhydryl-6-methylidenecyclohexa-1,3-diene
CID 154090112
(2-methylphenyl)-dioctylphosphane
CID 70128590
1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone
CID 130027554
1-bis(2-methylphenyl)phosphanylpropyl-bis(2-methylphenyl)phosphane
CID 90111167
5-methylidene-6-propylcyclohexa-1,3-diene
CID 163513277

Frequently Asked Questions

What is the IUPAC name of (6-methylidenecyclohexa-2,4-dien-1-yl)-bis(2-methylphenyl)phosphane?
The IUPAC name of (6-methylidenecyclohexa-2,4-dien-1-yl)-bis(2-methylphenyl)phosphane (CID 158900940) is (6-methylidenecyclohexa-2,4-dien-1-yl)-bis(2-methylphenyl)phosphane.
What is the SMILES notation for (6-methylidenecyclohexa-2,4-dien-1-yl)-bis(2-methylphenyl)phosphane?
The canonical SMILES for (6-methylidenecyclohexa-2,4-dien-1-yl)-bis(2-methylphenyl)phosphane is C=C1C=CC=CC1P(c1ccccc1C)c1ccccc1C.
What is the InChIKey of (6-methylidenecyclohexa-2,4-dien-1-yl)-bis(2-methylphenyl)phosphane?
The InChIKey is KUBDBJYTNDLWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21P/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3/h4-15,19H,1H2,2-3H3.
What are the key properties of (6-methylidenecyclohexa-2,4-dien-1-yl)-bis(2-methylphenyl)phosphane?
(6-methylidenecyclohexa-2,4-dien-1-yl)-bis(2-methylphenyl)phosphane has a molecular weight of 304.37 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylidenecyclohexa-2,4-dien-1-yl)-bis(2-methylphenyl)phosphane is sourced from PubChem (CID 158900940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).