[6-methoxy-2-(3-methoxyphenyl)-3,4-dihydronaphthalen-1-yl] acetate

C20H20O4 — CID 12972206

IUPAC[6-methoxy-2-(3-methoxyphenyl)-3,4-dihydronaphthalen-1-yl] acetate
SMILESCOc1cccc(C2=C(OC(C)=O)c3ccc(OC)cc3CC2)c1
InChIInChI=1S/C20H20O4/c1-13(21)24-20-18(14-5-4-6-16(11-14)22-2)9-7-15-12-17(23-3)8-10-19(15)20/h4-6,8,10-12H,7,9H2,1-3H3
InChIKeyWLGUOPJCFSEDOP-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.08
Rot. Bonds4

About [6-methoxy-2-(3-methoxyphenyl)-3,4-dihydronaphthalen-1-yl] acetate

[6-methoxy-2-(3-methoxyphenyl)-3,4-dihydronaphthalen-1-yl] acetate (PubChem CID 12972206) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is [6-methoxy-2-(3-methoxyphenyl)-3,4-dihydronaphthalen-1-yl] acetate.

Molecular Properties

Compound Name[6-methoxy-2-(3-methoxyphenyl)-3,4-dihydronaphthalen-1-yl] acetate
PubChem CID12972206
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name[6-methoxy-2-(3-methoxyphenyl)-3,4-dihydronaphthalen-1-yl] acetate
SMILESCOc1cccc(C2=C(OC(C)=O)c3ccc(OC)cc3CC2)c1
InChIInChI=1S/C20H20O4/c1-13(21)24-20-18(14-5-4-6-16(11-14)22-2)9-7-15-12-17(23-3)8-10-19(15)20/h4-6,8,10-12H,7,9H2,1-3H3
InChIKeyWLGUOPJCFSEDOP-UHFFFAOYSA-N
XLogP4.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(6-methoxynaphthalen-2-yl)phenyl] acetate
CID 57307184
N-(8-methoxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
CID 70830275
2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate
CID 174994017
7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one
CID 615098
(7-methoxy-9,10-dihydrophenanthren-2-yl) 6-acetylnaphthalene-2-carboxylate
CID 58800525
7-methoxy-9,10-dihydrophenanthrene-1,4-dione
CID 23251755
(4-bromo-8-methoxy-2,3-dihydro-1-benzoxepin-5-yl) acetate
CID 90227768
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone
CID 20716225
(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide
CID 10888983
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-2-(3-methoxyphenyl)-3,4-dihydronaphthalen-1-yl] acetate?
The IUPAC name of [6-methoxy-2-(3-methoxyphenyl)-3,4-dihydronaphthalen-1-yl] acetate (CID 12972206) is [6-methoxy-2-(3-methoxyphenyl)-3,4-dihydronaphthalen-1-yl] acetate.
What is the SMILES notation for [6-methoxy-2-(3-methoxyphenyl)-3,4-dihydronaphthalen-1-yl] acetate?
The canonical SMILES for [6-methoxy-2-(3-methoxyphenyl)-3,4-dihydronaphthalen-1-yl] acetate is COc1cccc(C2=C(OC(C)=O)c3ccc(OC)cc3CC2)c1.
What is the InChIKey of [6-methoxy-2-(3-methoxyphenyl)-3,4-dihydronaphthalen-1-yl] acetate?
The InChIKey is WLGUOPJCFSEDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-13(21)24-20-18(14-5-4-6-16(11-14)22-2)9-7-15-12-17(23-3)8-10-19(15)20/h4-6,8,10-12H,7,9H2,1-3H3.
What are the key properties of [6-methoxy-2-(3-methoxyphenyl)-3,4-dihydronaphthalen-1-yl] acetate?
[6-methoxy-2-(3-methoxyphenyl)-3,4-dihydronaphthalen-1-yl] acetate has a molecular weight of 324.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-2-(3-methoxyphenyl)-3,4-dihydronaphthalen-1-yl] acetate is sourced from PubChem (CID 12972206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).