dichloro-(4-dodecylphenyl)phosphane

C18H29Cl2P — CID 19011054

IUPACdichloro-(4-dodecylphenyl)phosphane
SMILESCCCCCCCCCCCCc1ccc(P(Cl)Cl)cc1
InChIInChI=1S/C18H29Cl2P/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)21(19)20/h13-16H,2-12H2,1H3
InChIKeyRGQIZYWYVAKEHN-UHFFFAOYSA-N
MW347.31 g/mol
LogP7.56
Rot. Bonds12

About dichloro-(4-dodecylphenyl)phosphane

dichloro-(4-dodecylphenyl)phosphane (PubChem CID 19011054) has the molecular formula C18H29Cl2P and a molecular weight of 347.31 g/mol. Its IUPAC name is dichloro-(4-dodecylphenyl)phosphane.

Molecular Properties

Compound Namedichloro-(4-dodecylphenyl)phosphane
PubChem CID19011054
Molecular FormulaC18H29Cl2P
Molecular Weight347.31 g/mol
Exact Mass346.14
IUPAC Namedichloro-(4-dodecylphenyl)phosphane
SMILESCCCCCCCCCCCCc1ccc(P(Cl)Cl)cc1
InChIInChI=1S/C18H29Cl2P/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)21(19)20/h13-16H,2-12H2,1H3
InChIKeyRGQIZYWYVAKEHN-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.31
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-nonylbenzene
CID 59545302
(4-undecylphenyl)methanethiol
CID 152658546
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
N,N-dichloro-4-hexylaniline
CID 87850897
CID 150102508
CID 150102508
1-methyl-4-octylbenzene
CID 11052746
4-(4-hexylphenyl)butyl-dimethylphosphane
CID 142018377
(4-butylphenyl)-ethyl-hexylphosphane
CID 90109509
CID 59759292
CID 59759292
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602

Frequently Asked Questions

What is the IUPAC name of dichloro-(4-dodecylphenyl)phosphane?
The IUPAC name of dichloro-(4-dodecylphenyl)phosphane (CID 19011054) is dichloro-(4-dodecylphenyl)phosphane.
What is the SMILES notation for dichloro-(4-dodecylphenyl)phosphane?
The canonical SMILES for dichloro-(4-dodecylphenyl)phosphane is CCCCCCCCCCCCc1ccc(P(Cl)Cl)cc1.
What is the InChIKey of dichloro-(4-dodecylphenyl)phosphane?
The InChIKey is RGQIZYWYVAKEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29Cl2P/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)21(19)20/h13-16H,2-12H2,1H3.
What are the key properties of dichloro-(4-dodecylphenyl)phosphane?
dichloro-(4-dodecylphenyl)phosphane has a molecular weight of 347.31 g/mol, XLogP of 7.56, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(4-dodecylphenyl)phosphane is sourced from PubChem (CID 19011054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).