(5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol

C18H20O3 — CID 5317329

IUPAC(5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol
SMILESC[C@H]1[C@H](c2ccc(O)cc2)c2cc(O)c(O)cc2C[C@H]1C
InChIInChI=1S/C18H20O3/c1-10-7-13-8-16(20)17(21)9-15(13)18(11(10)2)12-3-5-14(19)6-4-12/h3-6,8-11,18-21H,7H2,1-2H3/t10-,11-,18-/m1/s1
InChIKeyKVQNZHBGJXIMPI-PJYBLOJUSA-N
MW284.36 g/mol
LogP3.76
Rot. Bonds1

About (5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol

(5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol (PubChem CID 5317329) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol.

Molecular Properties

Compound Name(5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol
PubChem CID5317329
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol
SMILESC[C@H]1[C@H](c2ccc(O)cc2)c2cc(O)c(O)cc2C[C@H]1C
InChIInChI=1S/C18H20O3/c1-10-7-13-8-16(20)17(21)9-15(13)18(11(10)2)12-3-5-14(19)6-4-12/h3-6,8-11,18-21H,7H2,1-2H3/t10-,11-,18-/m1/s1
InChIKeyKVQNZHBGJXIMPI-PJYBLOJUSA-N
XLogP3.76
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze (5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol?
The IUPAC name of (5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol (CID 5317329) is (5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol.
What is the SMILES notation for (5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol?
The canonical SMILES for (5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol is C[C@H]1[C@H](c2ccc(O)cc2)c2cc(O)c(O)cc2C[C@H]1C.
What is the InChIKey of (5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol?
The InChIKey is KVQNZHBGJXIMPI-PJYBLOJUSA-N. The full InChI is InChI=1S/C18H20O3/c1-10-7-13-8-16(20)17(21)9-15(13)18(11(10)2)12-3-5-14(19)6-4-12/h3-6,8-11,18-21H,7H2,1-2H3/t10-,11-,18-/m1/s1.
What are the key properties of (5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol?
(5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol has a molecular weight of 284.36 g/mol, XLogP of 3.76, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol is sourced from PubChem (CID 5317329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).