2-methoxy-6-(3-methoxypentan-3-yl)naphthalene;phosphoric acid

C17H25O6P — CID 67630530

IUPAC2-methoxy-6-(3-methoxypentan-3-yl)naphthalene;phosphoric acid
SMILESCCC(CC)(OC)c1ccc2cc(OC)ccc2c1.O=P(O)(O)O
InChIInChI=1S/C17H22O2.H3O4P/c1-5-17(6-2,19-4)15-9-7-14-12-16(18-3)10-8-13(14)11-15;1-5(2,3)4/h7-12H,5-6H2,1-4H3;(H3,1,2,3,4)
InChIKeyCTIQLXJMHSGZQR-UHFFFAOYSA-N
MW356.36 g/mol
LogP3.58
Rot. Bonds5

About 2-methoxy-6-(3-methoxypentan-3-yl)naphthalene;phosphoric acid

2-methoxy-6-(3-methoxypentan-3-yl)naphthalene;phosphoric acid (PubChem CID 67630530) has the molecular formula C17H25O6P and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-methoxy-6-(3-methoxypentan-3-yl)naphthalene;phosphoric acid.

Molecular Properties

Compound Name2-methoxy-6-(3-methoxypentan-3-yl)naphthalene;phosphoric acid
PubChem CID67630530
Molecular FormulaC17H25O6P
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Name2-methoxy-6-(3-methoxypentan-3-yl)naphthalene;phosphoric acid
SMILESCCC(CC)(OC)c1ccc2cc(OC)ccc2c1.O=P(O)(O)O
InChIInChI=1S/C17H22O2.H3O4P/c1-5-17(6-2,19-4)15-9-7-14-12-16(18-3)10-8-13(14)11-15;1-5(2,3)4/h7-12H,5-6H2,1-4H3;(H3,1,2,3,4)
InChIKeyCTIQLXJMHSGZQR-UHFFFAOYSA-N
XLogP3.58
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.58
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

ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
CID 93483561
dihydroxy(oxo)phosphanium;6-methoxy-1-(3-methoxypentan-3-yl)naphthalene
CID 67631254
2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 43753875
2-(6-methoxynaphthalen-2-yl)hexan-2-ol
CID 71294239
3-ethoxy-2-(6-methoxynaphthalen-2-yl)-2-methyl-3-oxopropanoic acid
CID 101052171
2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol
CID 159191921
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid
CID 65234037
[1-hydroxy-2-(6-methoxynaphthalen-2-yl)-1-phosphonopropyl]phosphonic acid
CID 13208998
(6-methoxyquinolin-2-yl)methylphosphonic acid
CID 67774367
methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate
CID 60787718
2,4-dimethoxy-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599515

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(3-methoxypentan-3-yl)naphthalene;phosphoric acid?
The IUPAC name of 2-methoxy-6-(3-methoxypentan-3-yl)naphthalene;phosphoric acid (CID 67630530) is 2-methoxy-6-(3-methoxypentan-3-yl)naphthalene;phosphoric acid.
What is the SMILES notation for 2-methoxy-6-(3-methoxypentan-3-yl)naphthalene;phosphoric acid?
The canonical SMILES for 2-methoxy-6-(3-methoxypentan-3-yl)naphthalene;phosphoric acid is CCC(CC)(OC)c1ccc2cc(OC)ccc2c1.O=P(O)(O)O.
What is the InChIKey of 2-methoxy-6-(3-methoxypentan-3-yl)naphthalene;phosphoric acid?
The InChIKey is CTIQLXJMHSGZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2.H3O4P/c1-5-17(6-2,19-4)15-9-7-14-12-16(18-3)10-8-13(14)11-15;1-5(2,3)4/h7-12H,5-6H2,1-4H3;(H3,1,2,3,4).
What are the key properties of 2-methoxy-6-(3-methoxypentan-3-yl)naphthalene;phosphoric acid?
2-methoxy-6-(3-methoxypentan-3-yl)naphthalene;phosphoric acid has a molecular weight of 356.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(3-methoxypentan-3-yl)naphthalene;phosphoric acid is sourced from PubChem (CID 67630530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).