7,9-dimethoxy-1,3-dimethyl-5-phenylmethoxy-1H-benzo[g]isochromene

C24H24O4 — CID 11440288

IUPAC7,9-dimethoxy-1,3-dimethyl-5-phenylmethoxy-1H-benzo[g]isochromene
SMILESCOc1cc(OC)c2cc3c(c(OCc4ccccc4)c2c1)C=C(C)OC3C
InChIInChI=1S/C24H24O4/c1-15-10-21-19(16(2)28-15)13-20-22(11-18(25-3)12-23(20)26-4)24(21)27-14-17-8-6-5-7-9-17/h5-13,16H,14H2,1-4H3
InChIKeyNDEZRQMKQBVXPY-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.89
Rot. Bonds5

About 7,9-dimethoxy-1,3-dimethyl-5-phenylmethoxy-1H-benzo[g]isochromene

7,9-dimethoxy-1,3-dimethyl-5-phenylmethoxy-1H-benzo[g]isochromene (PubChem CID 11440288) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 7,9-dimethoxy-1,3-dimethyl-5-phenylmethoxy-1H-benzo[g]isochromene.

Molecular Properties

Compound Name7,9-dimethoxy-1,3-dimethyl-5-phenylmethoxy-1H-benzo[g]isochromene
PubChem CID11440288
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name7,9-dimethoxy-1,3-dimethyl-5-phenylmethoxy-1H-benzo[g]isochromene
SMILESCOc1cc(OC)c2cc3c(c(OCc4ccccc4)c2c1)C=C(C)OC3C
InChIInChI=1S/C24H24O4/c1-15-10-21-19(16(2)28-15)13-20-22(11-18(25-3)12-23(20)26-4)24(21)27-14-17-8-6-5-7-9-17/h5-13,16H,14H2,1-4H3
InChIKeyNDEZRQMKQBVXPY-UHFFFAOYSA-N
XLogP5.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Glabrene
CID 480774
Epsilon-Viniferin
CID 5281728
2,7-Dihydroxy-4,6-dimethoxyphenanthrene
CID 44572330
6-Hydroxy-2,4,7-trimethoxyphenanthrene
CID 442694
Kazinol B
CID 480869
Me-344
CID 68026984
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
Epsilon-viniferin, (+)-
CID 5315233
Delta-Viniferin
CID 10095474
3,6-Dimethoxyphenanthren-4-yl acetate
CID 273034
3,3'-Dihydroxy-2,6-bis(4-hydroxybenzyl)-5-methoxybibenzyl
CID 11282492
Cirrhopetalanthin
CID 9982511

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethoxy-1,3-dimethyl-5-phenylmethoxy-1H-benzo[g]isochromene?
The IUPAC name of 7,9-dimethoxy-1,3-dimethyl-5-phenylmethoxy-1H-benzo[g]isochromene (CID 11440288) is 7,9-dimethoxy-1,3-dimethyl-5-phenylmethoxy-1H-benzo[g]isochromene.
What is the SMILES notation for 7,9-dimethoxy-1,3-dimethyl-5-phenylmethoxy-1H-benzo[g]isochromene?
The canonical SMILES for 7,9-dimethoxy-1,3-dimethyl-5-phenylmethoxy-1H-benzo[g]isochromene is COc1cc(OC)c2cc3c(c(OCc4ccccc4)c2c1)C=C(C)OC3C.
What is the InChIKey of 7,9-dimethoxy-1,3-dimethyl-5-phenylmethoxy-1H-benzo[g]isochromene?
The InChIKey is NDEZRQMKQBVXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-15-10-21-19(16(2)28-15)13-20-22(11-18(25-3)12-23(20)26-4)24(21)27-14-17-8-6-5-7-9-17/h5-13,16H,14H2,1-4H3.
What are the key properties of 7,9-dimethoxy-1,3-dimethyl-5-phenylmethoxy-1H-benzo[g]isochromene?
7,9-dimethoxy-1,3-dimethyl-5-phenylmethoxy-1H-benzo[g]isochromene has a molecular weight of 376.45 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethoxy-1,3-dimethyl-5-phenylmethoxy-1H-benzo[g]isochromene is sourced from PubChem (CID 11440288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).