(6S)-10,10-dimethyl-6-prop-1-en-2-yl-5,6-dihydronaphtho[2,1-g]chromene-2,3,7-triol

C22H22O4 — CID 163013400

IUPAC(6S)-10,10-dimethyl-6-prop-1-en-2-yl-5,6-dihydronaphtho[2,1-g]chromene-2,3,7-triol
SMILESC=C(C)[C@@H]1Cc2cc(O)c(O)cc2-c2cc3c(c(O)c21)C=CC(C)(C)O3
InChIInChI=1S/C22H22O4/c1-11(2)14-7-12-8-17(23)18(24)9-15(12)16-10-19-13(21(25)20(14)16)5-6-22(3,4)26-19/h5-6,8-10,14,23-25H,1,7H2,2-4H3/t14-/m0/s1
InChIKeyHPKFHYBIRLSUCD-AWEZNQCLSA-N
MW350.41 g/mol
LogP4.87
Rot. Bonds1

About (6S)-10,10-dimethyl-6-prop-1-en-2-yl-5,6-dihydronaphtho[2,1-g]chromene-2,3,7-triol

(6S)-10,10-dimethyl-6-prop-1-en-2-yl-5,6-dihydronaphtho[2,1-g]chromene-2,3,7-triol (PubChem CID 163013400) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is (6S)-10,10-dimethyl-6-prop-1-en-2-yl-5,6-dihydronaphtho[2,1-g]chromene-2,3,7-triol.

Molecular Properties

Compound Name(6S)-10,10-dimethyl-6-prop-1-en-2-yl-5,6-dihydronaphtho[2,1-g]chromene-2,3,7-triol
PubChem CID163013400
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name(6S)-10,10-dimethyl-6-prop-1-en-2-yl-5,6-dihydronaphtho[2,1-g]chromene-2,3,7-triol
SMILESC=C(C)[C@@H]1Cc2cc(O)c(O)cc2-c2cc3c(c(O)c21)C=CC(C)(C)O3
InChIInChI=1S/C22H22O4/c1-11(2)14-7-12-8-17(23)18(24)9-15(12)16-10-19-13(21(25)20(14)16)5-6-22(3,4)26-19/h5-6,8-10,14,23-25H,1,7H2,2-4H3/t14-/m0/s1
InChIKeyHPKFHYBIRLSUCD-AWEZNQCLSA-N
XLogP4.87
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6S)-10,10-dimethyl-6-prop-1-en-2-yl-5,6-dihydronaphtho[2,1-g]chromene-2,3,7-triol 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 (6S)-10,10-dimethyl-6-prop-1-en-2-yl-5,6-dihydronaphtho[2,1-g]chromene-2,3,7-triol?
The IUPAC name of (6S)-10,10-dimethyl-6-prop-1-en-2-yl-5,6-dihydronaphtho[2,1-g]chromene-2,3,7-triol (CID 163013400) is (6S)-10,10-dimethyl-6-prop-1-en-2-yl-5,6-dihydronaphtho[2,1-g]chromene-2,3,7-triol.
What is the SMILES notation for (6S)-10,10-dimethyl-6-prop-1-en-2-yl-5,6-dihydronaphtho[2,1-g]chromene-2,3,7-triol?
The canonical SMILES for (6S)-10,10-dimethyl-6-prop-1-en-2-yl-5,6-dihydronaphtho[2,1-g]chromene-2,3,7-triol is C=C(C)[C@@H]1Cc2cc(O)c(O)cc2-c2cc3c(c(O)c21)C=CC(C)(C)O3.
What is the InChIKey of (6S)-10,10-dimethyl-6-prop-1-en-2-yl-5,6-dihydronaphtho[2,1-g]chromene-2,3,7-triol?
The InChIKey is HPKFHYBIRLSUCD-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H22O4/c1-11(2)14-7-12-8-17(23)18(24)9-15(12)16-10-19-13(21(25)20(14)16)5-6-22(3,4)26-19/h5-6,8-10,14,23-25H,1,7H2,2-4H3/t14-/m0/s1.
What are the key properties of (6S)-10,10-dimethyl-6-prop-1-en-2-yl-5,6-dihydronaphtho[2,1-g]chromene-2,3,7-triol?
(6S)-10,10-dimethyl-6-prop-1-en-2-yl-5,6-dihydronaphtho[2,1-g]chromene-2,3,7-triol has a molecular weight of 350.41 g/mol, XLogP of 4.87, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-10,10-dimethyl-6-prop-1-en-2-yl-5,6-dihydronaphtho[2,1-g]chromene-2,3,7-triol is sourced from PubChem (CID 163013400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).