benzene;3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol

C21H25OP — CID 170752666

IUPACbenzene;3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol
SMILESOCCCP(C1=CCCC=C1)c1ccccc1.c1ccccc1
InChIInChI=1S/C15H19OP.C6H6/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15;1-2-4-6-5-3-1/h1,3-5,8-11,16H,2,6-7,12-13H2;1-6H
InChIKeyVDXHRRJOIOZWLN-UHFFFAOYSA-N
MW324.40 g/mol
LogP5.10
Rot. Bonds5

About benzene;3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol

benzene;3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol (PubChem CID 170752666) has the molecular formula C21H25OP and a molecular weight of 324.40 g/mol. Its IUPAC name is benzene;3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol.

Molecular Properties

Compound Namebenzene;3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol
PubChem CID170752666
Molecular FormulaC21H25OP
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Namebenzene;3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol
SMILESOCCCP(C1=CCCC=C1)c1ccccc1.c1ccccc1
InChIInChI=1S/C15H19OP.C6H6/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15;1-2-4-6-5-3-1/h1,3-5,8-11,16H,2,6-7,12-13H2;1-6H
InChIKeyVDXHRRJOIOZWLN-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.40
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol
CID 170752667
(5Z)-cycloocta-1,5-diene;3-diphenylphosphanylpropyl(diphenyl)phosphane;rhodium(3+);triperchlorate
CID 173344894
chloro-cyclohexa-1,5-dien-1-yl-phenylphosphane;ethane
CID 143889847
N'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N'-diphenylphosphanyl-N,N-dimethylpropane-1,3-diamine
CID 163974789
cycloocta-1,5-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;iridium
CID 172852253
cycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate
CID 11592885
(4-bromophenyl)-cyclohexa-1,5-dien-1-yl-phenylphosphane
CID 166796367
3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol
CID 14871357
dichloronickel;bis(2-diphenylphosphanylethanol);hydrate
CID 23730976
bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane
CID 123441058
3-[bis(diphenylphosphanylmethyl)amino]propan-1-ol
CID 101203232

Frequently Asked Questions

What is the IUPAC name of benzene;3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol?
The IUPAC name of benzene;3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol (CID 170752666) is benzene;3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol.
What is the SMILES notation for benzene;3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol?
The canonical SMILES for benzene;3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol is OCCCP(C1=CCCC=C1)c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol?
The InChIKey is VDXHRRJOIOZWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19OP.C6H6/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15;1-2-4-6-5-3-1/h1,3-5,8-11,16H,2,6-7,12-13H2;1-6H.
What are the key properties of benzene;3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol?
benzene;3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol has a molecular weight of 324.40 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol is sourced from PubChem (CID 170752666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).