(2S)-2-[(2S)-2-(5-methoxy-3,4-dihydro-2H-chromen-6-yl)propyl]-8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene

C26H34O3 — CID 143804364

IUPAC(2S)-2-[(2S)-2-(5-methoxy-3,4-dihydro-2H-chromen-6-yl)propyl]-8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene
SMILESCOc1c([C@@H](C)C[C@@H]2CCc3ccc(C(C)C)c(C)c3O2)ccc2c1CCCO2
InChIInChI=1S/C26H34O3/c1-16(2)21-11-9-19-8-10-20(29-25(19)18(21)4)15-17(3)22-12-13-24-23(26(22)27-5)7-6-14-28-24/h9,11-13,16-17,20H,6-8,10,14-15H2,1-5H3/t17-,20-/m0/s1
InChIKeyDDBZIPLSMIDGLO-PXNSSMCTSA-N
MW394.56 g/mol
LogP6.34
Rot. Bonds5

About (2S)-2-[(2S)-2-(5-methoxy-3,4-dihydro-2H-chromen-6-yl)propyl]-8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene

(2S)-2-[(2S)-2-(5-methoxy-3,4-dihydro-2H-chromen-6-yl)propyl]-8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene (PubChem CID 143804364) has the molecular formula C26H34O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-(5-methoxy-3,4-dihydro-2H-chromen-6-yl)propyl]-8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-(5-methoxy-3,4-dihydro-2H-chromen-6-yl)propyl]-8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene
PubChem CID143804364
Molecular FormulaC26H34O3
Molecular Weight394.56 g/mol
Exact Mass394.25
IUPAC Name(2S)-2-[(2S)-2-(5-methoxy-3,4-dihydro-2H-chromen-6-yl)propyl]-8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene
SMILESCOc1c([C@@H](C)C[C@@H]2CCc3ccc(C(C)C)c(C)c3O2)ccc2c1CCCO2
InChIInChI=1S/C26H34O3/c1-16(2)21-11-9-19-8-10-20(29-25(19)18(21)4)15-17(3)22-12-13-24-23(26(22)27-5)7-6-14-28-24/h9,11-13,16-17,20H,6-8,10,14-15H2,1-5H3/t17-,20-/m0/s1
InChIKeyDDBZIPLSMIDGLO-PXNSSMCTSA-N
XLogP6.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-(5-methoxy-3,4-dihydro-2H-chromen-6-yl)propyl]-8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene?
The IUPAC name of (2S)-2-[(2S)-2-(5-methoxy-3,4-dihydro-2H-chromen-6-yl)propyl]-8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene (CID 143804364) is (2S)-2-[(2S)-2-(5-methoxy-3,4-dihydro-2H-chromen-6-yl)propyl]-8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2S)-2-[(2S)-2-(5-methoxy-3,4-dihydro-2H-chromen-6-yl)propyl]-8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2S)-2-[(2S)-2-(5-methoxy-3,4-dihydro-2H-chromen-6-yl)propyl]-8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene is COc1c([C@@H](C)C[C@@H]2CCc3ccc(C(C)C)c(C)c3O2)ccc2c1CCCO2.
What is the InChIKey of (2S)-2-[(2S)-2-(5-methoxy-3,4-dihydro-2H-chromen-6-yl)propyl]-8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene?
The InChIKey is DDBZIPLSMIDGLO-PXNSSMCTSA-N. The full InChI is InChI=1S/C26H34O3/c1-16(2)21-11-9-19-8-10-20(29-25(19)18(21)4)15-17(3)22-12-13-24-23(26(22)27-5)7-6-14-28-24/h9,11-13,16-17,20H,6-8,10,14-15H2,1-5H3/t17-,20-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-(5-methoxy-3,4-dihydro-2H-chromen-6-yl)propyl]-8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene?
(2S)-2-[(2S)-2-(5-methoxy-3,4-dihydro-2H-chromen-6-yl)propyl]-8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene has a molecular weight of 394.56 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-(5-methoxy-3,4-dihydro-2H-chromen-6-yl)propyl]-8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 143804364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).