8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol

C22H28O6 — CID 23263984

IUPAC8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1cc(C2c3c(cc(OC)c(O)c3OC)CC(C)C2C)cc(OC)c1O
InChIInChI=1S/C22H28O6/c1-11-7-13-8-17(27-5)21(24)22(28-6)19(13)18(12(11)2)14-9-15(25-3)20(23)16(10-14)26-4/h8-12,18,23-24H,7H2,1-6H3
InChIKeyOCLDVFIKFFYZJM-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.09
Rot. Bonds5

About 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol

8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 23263984) has the molecular formula C22H28O6 and a molecular weight of 388.46 g/mol. Its IUPAC name is 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID23263984
Molecular FormulaC22H28O6
Molecular Weight388.46 g/mol
Exact Mass388.19
IUPAC Name8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1cc(C2c3c(cc(OC)c(O)c3OC)CC(C)C2C)cc(OC)c1O
InChIInChI=1S/C22H28O6/c1-11-7-13-8-17(27-5)21(24)22(28-6)19(13)18(12(11)2)14-9-15(25-3)20(23)16(10-14)26-4/h8-12,18,23-24H,7H2,1-6H3
InChIKeyOCLDVFIKFFYZJM-UHFFFAOYSA-N
XLogP4.09
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 23263984) is 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol is COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(C)C2C)cc(OC)c1O.
What is the InChIKey of 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is OCLDVFIKFFYZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O6/c1-11-7-13-8-17(27-5)21(24)22(28-6)19(13)18(12(11)2)14-9-15(25-3)20(23)16(10-14)26-4/h8-12,18,23-24H,7H2,1-6H3.
What are the key properties of 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol?
8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 388.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 23263984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).