1-(7-prop-2-enoxycarbonylnaphthalen-2-yl)ethylphosphonous acid

C16H17O4P — CID 168981668

IUPAC1-(7-prop-2-enoxycarbonylnaphthalen-2-yl)ethylphosphonous acid
SMILESC=CCOC(=O)c1ccc2ccc(C(C)P(O)O)cc2c1
InChIInChI=1S/C16H17O4P/c1-3-8-20-16(17)14-7-5-12-4-6-13(9-15(12)10-14)11(2)21(18)19/h3-7,9-11,18-19H,1,8H2,2H3
InChIKeyHWOJDJYNZYMEGC-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.54
Rot. Bonds5

About 1-(7-prop-2-enoxycarbonylnaphthalen-2-yl)ethylphosphonous acid

1-(7-prop-2-enoxycarbonylnaphthalen-2-yl)ethylphosphonous acid (PubChem CID 168981668) has the molecular formula C16H17O4P and a molecular weight of 304.28 g/mol. Its IUPAC name is 1-(7-prop-2-enoxycarbonylnaphthalen-2-yl)ethylphosphonous acid.

Molecular Properties

Compound Name1-(7-prop-2-enoxycarbonylnaphthalen-2-yl)ethylphosphonous acid
PubChem CID168981668
Molecular FormulaC16H17O4P
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name1-(7-prop-2-enoxycarbonylnaphthalen-2-yl)ethylphosphonous acid
SMILESC=CCOC(=O)c1ccc2ccc(C(C)P(O)O)cc2c1
InChIInChI=1S/C16H17O4P/c1-3-8-20-16(17)14-7-5-12-4-6-13(9-15(12)10-14)11(2)21(18)19/h3-7,9-11,18-19H,1,8H2,2H3
InChIKeyHWOJDJYNZYMEGC-UHFFFAOYSA-N
XLogP3.54
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate
CID 90322332
prop-2-enyl 7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate
CID 168982141
1-naphthalen-2-ylethylphosphonous acid
CID 145437029
benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate
CID 175510564
prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate
CID 90322329
prop-2-enyl 4-(4-prop-2-enoxycarbonylbenzoyl)benzoate
CID 118619511
prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate
CID 58125258
prop-2-enyl 9,10-dioxoanthracene-2-carboxylate
CID 59816781
4-prop-2-enoxycarbonylbenzoic acid
CID 18349855
prop-2-enyl 4-(4-bromophenyl)benzoate
CID 67763944
prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate;prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate
CID 160520654
prop-2-enyl 3-bromo-4-(3-methylbutoxy)benzoate
CID 54793288

Frequently Asked Questions

What is the IUPAC name of 1-(7-prop-2-enoxycarbonylnaphthalen-2-yl)ethylphosphonous acid?
The IUPAC name of 1-(7-prop-2-enoxycarbonylnaphthalen-2-yl)ethylphosphonous acid (CID 168981668) is 1-(7-prop-2-enoxycarbonylnaphthalen-2-yl)ethylphosphonous acid.
What is the SMILES notation for 1-(7-prop-2-enoxycarbonylnaphthalen-2-yl)ethylphosphonous acid?
The canonical SMILES for 1-(7-prop-2-enoxycarbonylnaphthalen-2-yl)ethylphosphonous acid is C=CCOC(=O)c1ccc2ccc(C(C)P(O)O)cc2c1.
What is the InChIKey of 1-(7-prop-2-enoxycarbonylnaphthalen-2-yl)ethylphosphonous acid?
The InChIKey is HWOJDJYNZYMEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O4P/c1-3-8-20-16(17)14-7-5-12-4-6-13(9-15(12)10-14)11(2)21(18)19/h3-7,9-11,18-19H,1,8H2,2H3.
What are the key properties of 1-(7-prop-2-enoxycarbonylnaphthalen-2-yl)ethylphosphonous acid?
1-(7-prop-2-enoxycarbonylnaphthalen-2-yl)ethylphosphonous acid has a molecular weight of 304.28 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-prop-2-enoxycarbonylnaphthalen-2-yl)ethylphosphonous acid is sourced from PubChem (CID 168981668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).