3-(2-chloro-4-fluoro-3-methoxyphenyl)-7-methoxy-1,2-dihydronaphthalene

C18H16ClFO2 — CID 54050552

IUPAC3-(2-chloro-4-fluoro-3-methoxyphenyl)-7-methoxy-1,2-dihydronaphthalene
SMILESCOc1ccc2c(c1)CCC(c1ccc(F)c(OC)c1Cl)=C2
InChIInChI=1S/C18H16ClFO2/c1-21-14-6-5-11-9-13(4-3-12(11)10-14)15-7-8-16(20)18(22-2)17(15)19/h5-10H,3-4H2,1-2H3
InChIKeyLXQVMUSBLYBKKG-UHFFFAOYSA-N
MW318.78 g/mol
LogP4.98
Rot. Bonds3

About 3-(2-chloro-4-fluoro-3-methoxyphenyl)-7-methoxy-1,2-dihydronaphthalene

3-(2-chloro-4-fluoro-3-methoxyphenyl)-7-methoxy-1,2-dihydronaphthalene (PubChem CID 54050552) has the molecular formula C18H16ClFO2 and a molecular weight of 318.78 g/mol. Its IUPAC name is 3-(2-chloro-4-fluoro-3-methoxyphenyl)-7-methoxy-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-(2-chloro-4-fluoro-3-methoxyphenyl)-7-methoxy-1,2-dihydronaphthalene
PubChem CID54050552
Molecular FormulaC18H16ClFO2
Molecular Weight318.78 g/mol
Exact Mass318.08
IUPAC Name3-(2-chloro-4-fluoro-3-methoxyphenyl)-7-methoxy-1,2-dihydronaphthalene
SMILESCOc1ccc2c(c1)CCC(c1ccc(F)c(OC)c1Cl)=C2
InChIInChI=1S/C18H16ClFO2/c1-21-14-6-5-11-9-13(4-3-12(11)10-14)15-7-8-16(20)18(22-2)17(15)19/h5-10H,3-4H2,1-2H3
InChIKeyLXQVMUSBLYBKKG-UHFFFAOYSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene
CID 57081453
2-(6-methoxy-3,4-dihydronaphthalen-2-yl)benzenesulfinic acid
CID 163478631
7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene
CID 132552094
3-chloro-8-methoxy-5a,6-dihydronaphtho[2,3-b][1]benzofuran
CID 150256933
2-(6-methoxy-3,4-dihydronaphthalen-2-yl)propan-2-amine
CID 105471629
2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene
CID 143787705
7-methoxy-3-(1-methoxypropyl)-1,2-dihydronaphthalene
CID 143846492
2-(4-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510926
2-(3-fluorophenyl)-6-methoxy-1H-indene
CID 18518306
3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene
CID 139952241
3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961429
2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol
CID 24762424

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluoro-3-methoxyphenyl)-7-methoxy-1,2-dihydronaphthalene?
The IUPAC name of 3-(2-chloro-4-fluoro-3-methoxyphenyl)-7-methoxy-1,2-dihydronaphthalene (CID 54050552) is 3-(2-chloro-4-fluoro-3-methoxyphenyl)-7-methoxy-1,2-dihydronaphthalene.
What is the SMILES notation for 3-(2-chloro-4-fluoro-3-methoxyphenyl)-7-methoxy-1,2-dihydronaphthalene?
The canonical SMILES for 3-(2-chloro-4-fluoro-3-methoxyphenyl)-7-methoxy-1,2-dihydronaphthalene is COc1ccc2c(c1)CCC(c1ccc(F)c(OC)c1Cl)=C2.
What is the InChIKey of 3-(2-chloro-4-fluoro-3-methoxyphenyl)-7-methoxy-1,2-dihydronaphthalene?
The InChIKey is LXQVMUSBLYBKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFO2/c1-21-14-6-5-11-9-13(4-3-12(11)10-14)15-7-8-16(20)18(22-2)17(15)19/h5-10H,3-4H2,1-2H3.
What are the key properties of 3-(2-chloro-4-fluoro-3-methoxyphenyl)-7-methoxy-1,2-dihydronaphthalene?
3-(2-chloro-4-fluoro-3-methoxyphenyl)-7-methoxy-1,2-dihydronaphthalene has a molecular weight of 318.78 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluoro-3-methoxyphenyl)-7-methoxy-1,2-dihydronaphthalene is sourced from PubChem (CID 54050552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).