trihydroxy-bis(naphthalen-1-ylmethyl)-λ5-phosphane

C22H21O3P — CID 139949554

IUPACtrihydroxy-bis(naphthalen-1-ylmethyl)-λ5-phosphane
SMILESOP(O)(O)(Cc1cccc2ccccc12)Cc1cccc2ccccc12
InChIInChI=1S/C22H21O3P/c23-26(24,25,15-19-11-5-9-17-7-1-3-13-21(17)19)16-20-12-6-10-18-8-2-4-14-22(18)20/h1-14,23-25H,15-16H2
InChIKeyOHXBNJXPHLYJDU-UHFFFAOYSA-N
MW364.38 g/mol
LogP4.97
Rot. Bonds4

About trihydroxy-bis(naphthalen-1-ylmethyl)-λ5-phosphane

trihydroxy-bis(naphthalen-1-ylmethyl)-λ5-phosphane (PubChem CID 139949554) has the molecular formula C22H21O3P and a molecular weight of 364.38 g/mol. Its IUPAC name is trihydroxy-bis(naphthalen-1-ylmethyl)-λ5-phosphane.

Molecular Properties

Compound Nametrihydroxy-bis(naphthalen-1-ylmethyl)-λ5-phosphane
PubChem CID139949554
Molecular FormulaC22H21O3P
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC Nametrihydroxy-bis(naphthalen-1-ylmethyl)-λ5-phosphane
SMILESOP(O)(O)(Cc1cccc2ccccc12)Cc1cccc2ccccc12
InChIInChI=1S/C22H21O3P/c23-26(24,25,15-19-11-5-9-17-7-1-3-13-21(17)19)16-20-12-6-10-18-8-2-4-14-22(18)20/h1-14,23-25H,15-16H2
InChIKeyOHXBNJXPHLYJDU-UHFFFAOYSA-N
XLogP4.97
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 66760372
CID 66760372
CID 57419547
CID 57419547
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
bis(naphthalen-1-ylmethyl)azanium
CID 4663788
azane;1-ethylnaphthalene
CID 19048185
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
ethane;2-naphthalen-1-ylethanol
CID 145119048
3-naphthalen-1-ylpropan-1-ol
CID 14711518
3-naphthalen-1-yl-2-oxopropanoate
CID 18448912
1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
N-methanidyl-N-methyl-1-naphthalen-1-ylmethanamine
CID 20723537
1-chloro-2-naphthalen-1-ylethanol
CID 54087449

Frequently Asked Questions

What is the IUPAC name of trihydroxy-bis(naphthalen-1-ylmethyl)-λ5-phosphane?
The IUPAC name of trihydroxy-bis(naphthalen-1-ylmethyl)-λ5-phosphane (CID 139949554) is trihydroxy-bis(naphthalen-1-ylmethyl)-λ5-phosphane.
What is the SMILES notation for trihydroxy-bis(naphthalen-1-ylmethyl)-λ5-phosphane?
The canonical SMILES for trihydroxy-bis(naphthalen-1-ylmethyl)-λ5-phosphane is OP(O)(O)(Cc1cccc2ccccc12)Cc1cccc2ccccc12.
What is the InChIKey of trihydroxy-bis(naphthalen-1-ylmethyl)-λ5-phosphane?
The InChIKey is OHXBNJXPHLYJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21O3P/c23-26(24,25,15-19-11-5-9-17-7-1-3-13-21(17)19)16-20-12-6-10-18-8-2-4-14-22(18)20/h1-14,23-25H,15-16H2.
What are the key properties of trihydroxy-bis(naphthalen-1-ylmethyl)-λ5-phosphane?
trihydroxy-bis(naphthalen-1-ylmethyl)-λ5-phosphane has a molecular weight of 364.38 g/mol, XLogP of 4.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-bis(naphthalen-1-ylmethyl)-λ5-phosphane is sourced from PubChem (CID 139949554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).