3-(3,4-dimethoxyphenyl)-8-hydroxy-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one

C21H24O5 — CID 19752647

IUPAC3-(3,4-dimethoxyphenyl)-8-hydroxy-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
SMILESCOc1cc(O)c2c(c1)C(C)(C)C(c1ccc(OC)c(OC)c1)CC2=O
InChIInChI=1S/C21H24O5/c1-21(2)14(12-6-7-18(25-4)19(8-12)26-5)11-17(23)20-15(21)9-13(24-3)10-16(20)22/h6-10,14,22H,11H2,1-5H3
InChIKeyZNMAEKAPUUFHLV-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.07
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-8-hydroxy-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one

3-(3,4-dimethoxyphenyl)-8-hydroxy-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one (PubChem CID 19752647) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-8-hydroxy-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-8-hydroxy-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
PubChem CID19752647
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Name3-(3,4-dimethoxyphenyl)-8-hydroxy-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
SMILESCOc1cc(O)c2c(c1)C(C)(C)C(c1ccc(OC)c(OC)c1)CC2=O
InChIInChI=1S/C21H24O5/c1-21(2)14(12-6-7-18(25-4)19(8-12)26-5)11-17(23)20-15(21)9-13(24-3)10-16(20)22/h6-10,14,22H,11H2,1-5H3
InChIKeyZNMAEKAPUUFHLV-UHFFFAOYSA-N
XLogP4.07
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-8-hydroxy-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-8-hydroxy-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one (CID 19752647) is 3-(3,4-dimethoxyphenyl)-8-hydroxy-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-8-hydroxy-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-8-hydroxy-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one is COc1cc(O)c2c(c1)C(C)(C)C(c1ccc(OC)c(OC)c1)CC2=O.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-8-hydroxy-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
The InChIKey is ZNMAEKAPUUFHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O5/c1-21(2)14(12-6-7-18(25-4)19(8-12)26-5)11-17(23)20-15(21)9-13(24-3)10-16(20)22/h6-10,14,22H,11H2,1-5H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-8-hydroxy-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
3-(3,4-dimethoxyphenyl)-8-hydroxy-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one has a molecular weight of 356.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-8-hydroxy-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one is sourced from PubChem (CID 19752647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).