(4S)-4,8-dihydroxy-6-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one

C16H16O5 — CID 162924901

IUPAC(4S)-4,8-dihydroxy-6-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one
SMILESCOc1cc(O)c2c(c1C)[C@](C)(O)c1c(C)coc1C2=O
InChIInChI=1S/C16H16O5/c1-7-6-21-15-12(7)16(3,19)13-8(2)10(20-4)5-9(17)11(13)14(15)18/h5-6,17,19H,1-4H3/t16-/m1/s1
InChIKeyUGIZRFRSCNHRSP-MRXNPFEDSA-N
MW288.30 g/mol
LogP2.41
Rot. Bonds1

About (4S)-4,8-dihydroxy-6-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one

(4S)-4,8-dihydroxy-6-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one (PubChem CID 162924901) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is (4S)-4,8-dihydroxy-6-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one.

Molecular Properties

Compound Name(4S)-4,8-dihydroxy-6-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one
PubChem CID162924901
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name(4S)-4,8-dihydroxy-6-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one
SMILESCOc1cc(O)c2c(c1C)[C@](C)(O)c1c(C)coc1C2=O
InChIInChI=1S/C16H16O5/c1-7-6-21-15-12(7)16(3,19)13-8(2)10(20-4)5-9(17)11(13)14(15)18/h5-6,17,19H,1-4H3/t16-/m1/s1
InChIKeyUGIZRFRSCNHRSP-MRXNPFEDSA-N
XLogP2.41
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,8-dihydroxy-6-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one?
The IUPAC name of (4S)-4,8-dihydroxy-6-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one (CID 162924901) is (4S)-4,8-dihydroxy-6-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one.
What is the SMILES notation for (4S)-4,8-dihydroxy-6-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one?
The canonical SMILES for (4S)-4,8-dihydroxy-6-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one is COc1cc(O)c2c(c1C)[C@](C)(O)c1c(C)coc1C2=O.
What is the InChIKey of (4S)-4,8-dihydroxy-6-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one?
The InChIKey is UGIZRFRSCNHRSP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16O5/c1-7-6-21-15-12(7)16(3,19)13-8(2)10(20-4)5-9(17)11(13)14(15)18/h5-6,17,19H,1-4H3/t16-/m1/s1.
What are the key properties of (4S)-4,8-dihydroxy-6-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one?
(4S)-4,8-dihydroxy-6-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one has a molecular weight of 288.30 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,8-dihydroxy-6-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one is sourced from PubChem (CID 162924901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).