1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride

C19H18Cl3O3P — CID 139438489

IUPAC1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride
SMILESCC1=C(C=O)CCc2cc(OCc3ccccc3)ccc21.O=P(Cl)(Cl)Cl
InChIInChI=1S/C19H18O2.Cl3OP/c1-14-17(12-20)8-7-16-11-18(9-10-19(14)16)21-13-15-5-3-2-4-6-15;1-5(2,3)4/h2-6,9-12H,7-8,13H2,1H3;
InChIKeyGPCUYDOQXMMZBF-UHFFFAOYSA-N
MW431.68 g/mol
LogP7.00
Rot. Bonds4

About 1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride

1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride (PubChem CID 139438489) has the molecular formula C19H18Cl3O3P and a molecular weight of 431.68 g/mol. Its IUPAC name is 1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride.

Molecular Properties

Compound Name1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride
PubChem CID139438489
Molecular FormulaC19H18Cl3O3P
Molecular Weight431.68 g/mol
Exact Mass430.01
IUPAC Name1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride
SMILESCC1=C(C=O)CCc2cc(OCc3ccccc3)ccc21.O=P(Cl)(Cl)Cl
InChIInChI=1S/C19H18O2.Cl3OP/c1-14-17(12-20)8-7-16-11-18(9-10-19(14)16)21-13-15-5-3-2-4-6-15;1-5(2,3)4/h2-6,9-12H,7-8,13H2,1H3;
InChIKeyGPCUYDOQXMMZBF-UHFFFAOYSA-N
XLogP7.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.68
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde
CID 23121517
6-[(3,5-dimethyl-4-phenylthiophen-2-yl)methoxy]-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde
CID 58438903
(2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid
CID 68909509
6-[3-(2-fluorophenyl)propoxy]-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde
CID 174496601
4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene
CID 23121671
methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 59590801
6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde
CID 10778027
(2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 23111685
2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one
CID 170649253
1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-2,4-dione
CID 122641936
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
1-(1-chloro-2-phenylethenyl)-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 54214739

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride?
The IUPAC name of 1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride (CID 139438489) is 1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride.
What is the SMILES notation for 1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride?
The canonical SMILES for 1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride is CC1=C(C=O)CCc2cc(OCc3ccccc3)ccc21.O=P(Cl)(Cl)Cl.
What is the InChIKey of 1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride?
The InChIKey is GPCUYDOQXMMZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2.Cl3OP/c1-14-17(12-20)8-7-16-11-18(9-10-19(14)16)21-13-15-5-3-2-4-6-15;1-5(2,3)4/h2-6,9-12H,7-8,13H2,1H3;.
What are the key properties of 1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride?
1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride has a molecular weight of 431.68 g/mol, XLogP of 7.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride is sourced from PubChem (CID 139438489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).