3-[chloro-(3-hydroxypropyl)-diphenyl-λ5-phosphanyl]propan-1-ol

C18H24ClO2P — CID 134994832

IUPAC3-[chloro-(3-hydroxypropyl)-diphenyl-λ5-phosphanyl]propan-1-ol
SMILESOCCCP(Cl)(CCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24ClO2P/c19-22(15-7-13-20,16-8-14-21,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,20-21H,7-8,13-16H2
InChIKeyLRXCTLSEXYFDDU-UHFFFAOYSA-N
MW338.81 g/mol
LogP3.11
Rot. Bonds8

About 3-[chloro-(3-hydroxypropyl)-diphenyl-λ5-phosphanyl]propan-1-ol

3-[chloro-(3-hydroxypropyl)-diphenyl-λ5-phosphanyl]propan-1-ol (PubChem CID 134994832) has the molecular formula C18H24ClO2P and a molecular weight of 338.81 g/mol. Its IUPAC name is 3-[chloro-(3-hydroxypropyl)-diphenyl-λ5-phosphanyl]propan-1-ol.

Molecular Properties

Compound Name3-[chloro-(3-hydroxypropyl)-diphenyl-λ5-phosphanyl]propan-1-ol
PubChem CID134994832
Molecular FormulaC18H24ClO2P
Molecular Weight338.81 g/mol
Exact Mass338.12
IUPAC Name3-[chloro-(3-hydroxypropyl)-diphenyl-λ5-phosphanyl]propan-1-ol
SMILESOCCCP(Cl)(CCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24ClO2P/c19-22(15-7-13-20,16-8-14-21,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,20-21H,7-8,13-16H2
InChIKeyLRXCTLSEXYFDDU-UHFFFAOYSA-N
XLogP3.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.81
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[chloro(triphenyl)-lambda5-phosphanyl]propan-1-ol
CID 14735122
3-[2-hydroxyethyl(triphenyl)-λ5-phosphanyl]propan-1-ol
CID 88862410
chloro-dioctadecyl-diphenyl-λ5-phosphane
CID 140527769
6-[chloro(triphenyl)-λ5-phosphanyl]hexan-1-ol
CID 163215868
3-[iodo(triphenyl)-lambda5-phosphanyl]propan-1-ol
CID 15266450
benzene;butane-1,4-diol
CID 141209769
tetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane
CID 175110521
benzoic acid;2-chloroethanol
CID 86108582
chloro-ethyl-triphenyl-λ5-phosphane
CID 12903040
chloro-pent-4-enyl-triphenyl-λ5-phosphane
CID 156636022
butan-1-ol;chlorobenzene;hydrate
CID 174932999
4-(4-phenylphenyl)butan-1-ol
CID 11970468

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(3-hydroxypropyl)-diphenyl-λ5-phosphanyl]propan-1-ol?
The IUPAC name of 3-[chloro-(3-hydroxypropyl)-diphenyl-λ5-phosphanyl]propan-1-ol (CID 134994832) is 3-[chloro-(3-hydroxypropyl)-diphenyl-λ5-phosphanyl]propan-1-ol.
What is the SMILES notation for 3-[chloro-(3-hydroxypropyl)-diphenyl-λ5-phosphanyl]propan-1-ol?
The canonical SMILES for 3-[chloro-(3-hydroxypropyl)-diphenyl-λ5-phosphanyl]propan-1-ol is OCCCP(Cl)(CCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[chloro-(3-hydroxypropyl)-diphenyl-λ5-phosphanyl]propan-1-ol?
The InChIKey is LRXCTLSEXYFDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClO2P/c19-22(15-7-13-20,16-8-14-21,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,20-21H,7-8,13-16H2.
What are the key properties of 3-[chloro-(3-hydroxypropyl)-diphenyl-λ5-phosphanyl]propan-1-ol?
3-[chloro-(3-hydroxypropyl)-diphenyl-λ5-phosphanyl]propan-1-ol has a molecular weight of 338.81 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(3-hydroxypropyl)-diphenyl-λ5-phosphanyl]propan-1-ol is sourced from PubChem (CID 134994832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).