1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene

C24H32O7 — CID 15004762

IUPAC1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene
SMILESCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)C2OC)cc(OC)c1OC
InChIInChI=1S/C24H32O7/c1-25-18-10-14(11-19(26-2)23(18)30-6)16-8-9-17(22(16)29-5)15-12-20(27-3)24(31-7)21(13-15)28-4/h10-13,16-17,22H,8-9H2,1-7H3/t16-,17-/m1/s1
InChIKeySDKZEJOCSXUVKJ-IAGOWNOFSA-N
MW432.51 g/mol
LogP4.41
Rot. Bonds9

About 1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene

1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene (PubChem CID 15004762) has the molecular formula C24H32O7 and a molecular weight of 432.51 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene
PubChem CID15004762
Molecular FormulaC24H32O7
Molecular Weight432.51 g/mol
Exact Mass432.21
IUPAC Name1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene
SMILESCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)C2OC)cc(OC)c1OC
InChIInChI=1S/C24H32O7/c1-25-18-10-14(11-19(26-2)23(18)30-6)16-8-9-17(22(16)29-5)15-12-20(27-3)24(31-7)21(13-15)28-4/h10-13,16-17,22H,8-9H2,1-7H3/t16-,17-/m1/s1
InChIKeySDKZEJOCSXUVKJ-IAGOWNOFSA-N
XLogP4.41
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2,5-bis(3,4,5-trimethoxyphenyl)cyclopentyl] acetate
CID 19887993
1,2,3-trimethoxy-5-[(1R,2S,3R)-2-methoxy-3-(3-methoxy-5-methylsulfinyl-4-propoxyphenyl)cyclopentyl]benzene
CID 67914251
1,2,3-trimethoxy-5-[(1R,2S,3S)-2-methoxy-3-(3-methoxy-5-methylsulfinyl-4-propoxyphenyl)cyclopentyl]benzene
CID 67914242
2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol
CID 71524985
(2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane
CID 142954682
1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene
CID 91416064
(1R,2R,4S,5S)-2,4-bis(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one
CID 71473110
(3R,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 10049223
(1S,2S,5S)-2-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-ol
CID 67914080
2,3-dimethoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)thiolan-2-yl]aniline
CID 15292956
2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol
CID 11794734
[(1R,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]methyl methanesulfonate
CID 54441407

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene (CID 15004762) is 1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene is COc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)C2OC)cc(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene?
The InChIKey is SDKZEJOCSXUVKJ-IAGOWNOFSA-N. The full InChI is InChI=1S/C24H32O7/c1-25-18-10-14(11-19(26-2)23(18)30-6)16-8-9-17(22(16)29-5)15-12-20(27-3)24(31-7)21(13-15)28-4/h10-13,16-17,22H,8-9H2,1-7H3/t16-,17-/m1/s1.
What are the key properties of 1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene?
1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene has a molecular weight of 432.51 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene is sourced from PubChem (CID 15004762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).