1-naphthalen-2-ylethylphosphonous acid

C12H13O2P — CID 145437029

IUPAC1-naphthalen-2-ylethylphosphonous acid
SMILESCC(c1ccc2ccccc2c1)P(O)O
InChIInChI=1S/C12H13O2P/c1-9(15(13)14)11-7-6-10-4-2-3-5-12(10)8-11/h2-9,13-14H,1H3
InChIKeyYWBOHRUFWGJZFY-UHFFFAOYSA-N
MW220.21 g/mol
LogP3.20
Rot. Bonds2

About 1-naphthalen-2-ylethylphosphonous acid

1-naphthalen-2-ylethylphosphonous acid (PubChem CID 145437029) has the molecular formula C12H13O2P and a molecular weight of 220.21 g/mol. Its IUPAC name is 1-naphthalen-2-ylethylphosphonous acid.

Molecular Properties

Compound Name1-naphthalen-2-ylethylphosphonous acid
PubChem CID145437029
Molecular FormulaC12H13O2P
Molecular Weight220.21 g/mol
Exact Mass220.07
IUPAC Name1-naphthalen-2-ylethylphosphonous acid
SMILESCC(c1ccc2ccccc2c1)P(O)O
InChIInChI=1S/C12H13O2P/c1-9(15(13)14)11-7-6-10-4-2-3-5-12(10)8-11/h2-9,13-14H,1H3
InChIKeyYWBOHRUFWGJZFY-UHFFFAOYSA-N
XLogP3.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 53.20
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

ethane;2-propan-2-ylnaphthalene
CID 142226111
2-propan-2-ylpentacene
CID 153380535
1-naphthalen-2-ylethanethiol
CID 11672816
1-naphthalen-2-ylethanamine
CID 3857145
naphthalen-2-ylmethanediol
CID 22496827
[(1S)-1-naphthalen-2-ylethyl]azanium chloride
CID 155931519
N-methyl-N-(1-naphthalen-2-ylethyl)hydroxylamine
CID 134925805
3-naphthalen-2-ylbutan-2-amine
CID 66436107
2-(dinaphthalen-2-ylmethyl)naphthalene;ethane;naphthalene;bis(2-(1-naphthalen-2-ylethyl)naphthalene)
CID 158656966
methyl-[(1R)-1-naphthalen-2-ylethyl]azanide
CID 59298029
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
trimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium
CID 71541621

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylethylphosphonous acid?
The IUPAC name of 1-naphthalen-2-ylethylphosphonous acid (CID 145437029) is 1-naphthalen-2-ylethylphosphonous acid.
What is the SMILES notation for 1-naphthalen-2-ylethylphosphonous acid?
The canonical SMILES for 1-naphthalen-2-ylethylphosphonous acid is CC(c1ccc2ccccc2c1)P(O)O.
What is the InChIKey of 1-naphthalen-2-ylethylphosphonous acid?
The InChIKey is YWBOHRUFWGJZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O2P/c1-9(15(13)14)11-7-6-10-4-2-3-5-12(10)8-11/h2-9,13-14H,1H3.
What are the key properties of 1-naphthalen-2-ylethylphosphonous acid?
1-naphthalen-2-ylethylphosphonous acid has a molecular weight of 220.21 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylethylphosphonous acid is sourced from PubChem (CID 145437029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).