(6S,7S,8S)-3-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol

C22H28O5 — CID 53359709

IUPAC(6S,7S,8S)-3-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1cc2c(cc1O)[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](C)[C@@H](C)C2
InChIInChI=1S/C22H28O5/c1-12-7-14-8-18(24-3)17(23)11-16(14)21(13(12)2)15-9-19(25-4)22(27-6)20(10-15)26-5/h8-13,21,23H,7H2,1-6H3/t12-,13-,21-/m0/s1
InChIKeyURJIMCPRAROPBM-BYVOGVQKSA-N
MW372.46 g/mol
LogP4.39
Rot. Bonds5

About (6S,7S,8S)-3-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol

(6S,7S,8S)-3-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 53359709) has the molecular formula C22H28O5 and a molecular weight of 372.46 g/mol. Its IUPAC name is (6S,7S,8S)-3-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(6S,7S,8S)-3-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID53359709
Molecular FormulaC22H28O5
Molecular Weight372.46 g/mol
Exact Mass372.19
IUPAC Name(6S,7S,8S)-3-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1cc2c(cc1O)[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](C)[C@@H](C)C2
InChIInChI=1S/C22H28O5/c1-12-7-14-8-18(24-3)17(23)11-16(14)21(13(12)2)15-9-19(25-4)22(27-6)20(10-15)26-5/h8-13,21,23H,7H2,1-6H3/t12-,13-,21-/m0/s1
InChIKeyURJIMCPRAROPBM-BYVOGVQKSA-N
XLogP4.39
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S,7S,8S)-3-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (6S,7S,8S)-3-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 53359709) is (6S,7S,8S)-3-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (6S,7S,8S)-3-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (6S,7S,8S)-3-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol is COc1cc2c(cc1O)[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](C)[C@@H](C)C2.
What is the InChIKey of (6S,7S,8S)-3-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is URJIMCPRAROPBM-BYVOGVQKSA-N. The full InChI is InChI=1S/C22H28O5/c1-12-7-14-8-18(24-3)17(23)11-16(14)21(13(12)2)15-9-19(25-4)22(27-6)20(10-15)26-5/h8-13,21,23H,7H2,1-6H3/t12-,13-,21-/m0/s1.
What are the key properties of (6S,7S,8S)-3-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
(6S,7S,8S)-3-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 372.46 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,8S)-3-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 53359709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).