phenanthrene;phosphinous acid

C14H13OP — CID 174826862

IUPACphenanthrene;phosphinous acid
SMILESOP.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H10.H3OP/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2/h1-10H;1H,2H2
InChIKeyFLRMNZZSDASKFO-UHFFFAOYSA-N
MW228.23 g/mol
LogP3.76
Rot. Bonds

About phenanthrene;phosphinous acid

phenanthrene;phosphinous acid (PubChem CID 174826862) has the molecular formula C14H13OP and a molecular weight of 228.23 g/mol. Its IUPAC name is phenanthrene;phosphinous acid.

Molecular Properties

Compound Namephenanthrene;phosphinous acid
PubChem CID174826862
Molecular FormulaC14H13OP
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Namephenanthrene;phosphinous acid
SMILESOP.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H10.H3OP/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2/h1-10H;1H,2H2
InChIKeyFLRMNZZSDASKFO-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
ethane;methane;phenanthrene
CID 144939263
ethane;methane;phenanthrene
CID 144938954
chrysene;iron
CID 157379031
phenanthrene;phosphenous acid
CID 174573488
anthracene;naphthalene;phenanthrene
CID 158591187
naphtho[1,2-b]phenanthrene
CID 5889
ethene;picene
CID 175286520
phenanthrene;pyrene;triphenylene
CID 162115949
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098

Frequently Asked Questions

What is the IUPAC name of phenanthrene;phosphinous acid?
The IUPAC name of phenanthrene;phosphinous acid (CID 174826862) is phenanthrene;phosphinous acid.
What is the SMILES notation for phenanthrene;phosphinous acid?
The canonical SMILES for phenanthrene;phosphinous acid is OP.c1ccc2c(c1)ccc1ccccc12.
What is the InChIKey of phenanthrene;phosphinous acid?
The InChIKey is FLRMNZZSDASKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.H3OP/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2/h1-10H;1H,2H2.
What are the key properties of phenanthrene;phosphinous acid?
phenanthrene;phosphinous acid has a molecular weight of 228.23 g/mol, XLogP of 3.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthrene;phosphinous acid is sourced from PubChem (CID 174826862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).