(5S,11S)-2,8-dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene

C22H24O2 — CID 10543706

IUPAC(5S,11S)-2,8-dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene
SMILESCOc1ccc2c(c1)C[C@H](C)C1=C2[C@@H](C)Cc2cc(OC)ccc21
InChIInChI=1S/C22H24O2/c1-13-9-15-11-17(23-3)6-8-20(15)22-14(2)10-16-12-18(24-4)5-7-19(16)21(13)22/h5-8,11-14H,9-10H2,1-4H3/t13-,14-/m0/s1
InChIKeyNDJYNKPHLIHATM-KBPBESRZSA-N
MW320.43 g/mol
LogP5.00
Rot. Bonds2

About (5S,11S)-2,8-dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene

(5S,11S)-2,8-dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene (PubChem CID 10543706) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is (5S,11S)-2,8-dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene.

Molecular Properties

Compound Name(5S,11S)-2,8-dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene
PubChem CID10543706
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name(5S,11S)-2,8-dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene
SMILESCOc1ccc2c(c1)C[C@H](C)C1=C2[C@@H](C)Cc2cc(OC)ccc21
InChIInChI=1S/C22H24O2/c1-13-9-15-11-17(23-3)6-8-20(15)22-14(2)10-16-12-18(24-4)5-7-19(16)21(13)22/h5-8,11-14H,9-10H2,1-4H3/t13-,14-/m0/s1
InChIKeyNDJYNKPHLIHATM-KBPBESRZSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
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2-(2-chloroacetyl)-5-methoxy-2,3-dihydroinden-1-one
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Frequently Asked Questions

What is the IUPAC name of (5S,11S)-2,8-dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene?
The IUPAC name of (5S,11S)-2,8-dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene (CID 10543706) is (5S,11S)-2,8-dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene.
What is the SMILES notation for (5S,11S)-2,8-dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene?
The canonical SMILES for (5S,11S)-2,8-dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene is COc1ccc2c(c1)C[C@H](C)C1=C2[C@@H](C)Cc2cc(OC)ccc21.
What is the InChIKey of (5S,11S)-2,8-dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene?
The InChIKey is NDJYNKPHLIHATM-KBPBESRZSA-N. The full InChI is InChI=1S/C22H24O2/c1-13-9-15-11-17(23-3)6-8-20(15)22-14(2)10-16-12-18(24-4)5-7-19(16)21(13)22/h5-8,11-14H,9-10H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of (5S,11S)-2,8-dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene?
(5S,11S)-2,8-dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene has a molecular weight of 320.43 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,11S)-2,8-dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene is sourced from PubChem (CID 10543706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).