phenanthrene;phosphenous acid

C14H11O2P — CID 174573488

IUPACphenanthrene;phosphenous acid
SMILESO=PO.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H10.HO2P/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-3-2/h1-10H;(H,1,2)
InChIKeyDPAWWLDAMKVROA-UHFFFAOYSA-N
MW242.21 g/mol
LogP4.18
Rot. Bonds

About phenanthrene;phosphenous acid

phenanthrene;phosphenous acid (PubChem CID 174573488) has the molecular formula C14H11O2P and a molecular weight of 242.21 g/mol. Its IUPAC name is phenanthrene;phosphenous acid.

Molecular Properties

Compound Namephenanthrene;phosphenous acid
PubChem CID174573488
Molecular FormulaC14H11O2P
Molecular Weight242.21 g/mol
Exact Mass242.05
IUPAC Namephenanthrene;phosphenous acid
SMILESO=PO.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H10.HO2P/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-3-2/h1-10H;(H,1,2)
InChIKeyDPAWWLDAMKVROA-UHFFFAOYSA-N
XLogP4.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 54.18
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

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CID 174826862
phenanthrene;phosphane
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CID 144939263
ethane;methane;phenanthrene
CID 144938954
chrysene;iron
CID 157379031
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CID 175201446
ethene;picene
CID 175286520
naphtho[1,2-b]phenanthrene
CID 5889
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CID 158591187
phenanthrene;prop-2-enoic acid
CID 88600118

Frequently Asked Questions

What is the IUPAC name of phenanthrene;phosphenous acid?
The IUPAC name of phenanthrene;phosphenous acid (CID 174573488) is phenanthrene;phosphenous acid.
What is the SMILES notation for phenanthrene;phosphenous acid?
The canonical SMILES for phenanthrene;phosphenous acid is O=PO.c1ccc2c(c1)ccc1ccccc12.
What is the InChIKey of phenanthrene;phosphenous acid?
The InChIKey is DPAWWLDAMKVROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.HO2P/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-3-2/h1-10H;(H,1,2).
What are the key properties of phenanthrene;phosphenous acid?
phenanthrene;phosphenous acid has a molecular weight of 242.21 g/mol, XLogP of 4.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthrene;phosphenous acid is sourced from PubChem (CID 174573488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).