6,7-diethyl-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol

C22H28O4 — CID 78192297

IUPAC6,7-diethyl-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCC1Cc2cc(OC)c(O)cc2C(c2ccc(O)c(OC)c2)C1CC
InChIInChI=1S/C22H28O4/c1-5-13-9-15-11-21(26-4)19(24)12-17(15)22(16(13)6-2)14-7-8-18(23)20(10-14)25-3/h7-8,10-13,16,22-24H,5-6,9H2,1-4H3
InChIKeyXWRKSUJIWPCHLR-UHFFFAOYSA-N
MW356.46 g/mol
LogP4.86
Rot. Bonds5

About 6,7-diethyl-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol

6,7-diethyl-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 78192297) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is 6,7-diethyl-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6,7-diethyl-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID78192297
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name6,7-diethyl-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCC1Cc2cc(OC)c(O)cc2C(c2ccc(O)c(OC)c2)C1CC
InChIInChI=1S/C22H28O4/c1-5-13-9-15-11-21(26-4)19(24)12-17(15)22(16(13)6-2)14-7-8-18(23)20(10-14)25-3/h7-8,10-13,16,22-24H,5-6,9H2,1-4H3
InChIKeyXWRKSUJIWPCHLR-UHFFFAOYSA-N
XLogP4.86
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-diethyl-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6,7-diethyl-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol (CID 78192297) is 6,7-diethyl-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6,7-diethyl-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6,7-diethyl-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol is CCC1Cc2cc(OC)c(O)cc2C(c2ccc(O)c(OC)c2)C1CC.
What is the InChIKey of 6,7-diethyl-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is XWRKSUJIWPCHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4/c1-5-13-9-15-11-21(26-4)19(24)12-17(15)22(16(13)6-2)14-7-8-18(23)20(10-14)25-3/h7-8,10-13,16,22-24H,5-6,9H2,1-4H3.
What are the key properties of 6,7-diethyl-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol?
6,7-diethyl-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 356.46 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethyl-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 78192297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).