1-[(1R)-1,4-dimethoxycyclohexa-2,4-dien-1-yl]-4,5-dimethoxy-2-(methoxymethyl)benzene

C18H24O5 — CID 101495739

IUPAC1-[(1R)-1,4-dimethoxycyclohexa-2,4-dien-1-yl]-4,5-dimethoxy-2-(methoxymethyl)benzene
SMILESCOCc1cc(OC)c(OC)cc1[C@]1(OC)C=CC(OC)=CC1
InChIInChI=1S/C18H24O5/c1-19-12-13-10-16(21-3)17(22-4)11-15(13)18(23-5)8-6-14(20-2)7-9-18/h6-8,10-11H,9,12H2,1-5H3/t18-/m0/s1
InChIKeyLCEANWHBMNAVII-SFHVURJKSA-N
MW320.39 g/mol
LogP3.18
Rot. Bonds7

About 1-[(1R)-1,4-dimethoxycyclohexa-2,4-dien-1-yl]-4,5-dimethoxy-2-(methoxymethyl)benzene

1-[(1R)-1,4-dimethoxycyclohexa-2,4-dien-1-yl]-4,5-dimethoxy-2-(methoxymethyl)benzene (PubChem CID 101495739) has the molecular formula C18H24O5 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[(1R)-1,4-dimethoxycyclohexa-2,4-dien-1-yl]-4,5-dimethoxy-2-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-[(1R)-1,4-dimethoxycyclohexa-2,4-dien-1-yl]-4,5-dimethoxy-2-(methoxymethyl)benzene
PubChem CID101495739
Molecular FormulaC18H24O5
Molecular Weight320.39 g/mol
Exact Mass320.16
IUPAC Name1-[(1R)-1,4-dimethoxycyclohexa-2,4-dien-1-yl]-4,5-dimethoxy-2-(methoxymethyl)benzene
SMILESCOCc1cc(OC)c(OC)cc1[C@]1(OC)C=CC(OC)=CC1
InChIInChI=1S/C18H24O5/c1-19-12-13-10-16(21-3)17(22-4)11-15(13)18(23-5)8-6-14(20-2)7-9-18/h6-8,10-11H,9,12H2,1-5H3/t18-/m0/s1
InChIKeyLCEANWHBMNAVII-SFHVURJKSA-N
XLogP3.18
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1,4-dimethoxycyclohexa-2,4-dien-1-yl]-4,5-dimethoxy-2-(methoxymethyl)benzene?
The IUPAC name of 1-[(1R)-1,4-dimethoxycyclohexa-2,4-dien-1-yl]-4,5-dimethoxy-2-(methoxymethyl)benzene (CID 101495739) is 1-[(1R)-1,4-dimethoxycyclohexa-2,4-dien-1-yl]-4,5-dimethoxy-2-(methoxymethyl)benzene.
What is the SMILES notation for 1-[(1R)-1,4-dimethoxycyclohexa-2,4-dien-1-yl]-4,5-dimethoxy-2-(methoxymethyl)benzene?
The canonical SMILES for 1-[(1R)-1,4-dimethoxycyclohexa-2,4-dien-1-yl]-4,5-dimethoxy-2-(methoxymethyl)benzene is COCc1cc(OC)c(OC)cc1[C@]1(OC)C=CC(OC)=CC1.
What is the InChIKey of 1-[(1R)-1,4-dimethoxycyclohexa-2,4-dien-1-yl]-4,5-dimethoxy-2-(methoxymethyl)benzene?
The InChIKey is LCEANWHBMNAVII-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24O5/c1-19-12-13-10-16(21-3)17(22-4)11-15(13)18(23-5)8-6-14(20-2)7-9-18/h6-8,10-11H,9,12H2,1-5H3/t18-/m0/s1.
What are the key properties of 1-[(1R)-1,4-dimethoxycyclohexa-2,4-dien-1-yl]-4,5-dimethoxy-2-(methoxymethyl)benzene?
1-[(1R)-1,4-dimethoxycyclohexa-2,4-dien-1-yl]-4,5-dimethoxy-2-(methoxymethyl)benzene has a molecular weight of 320.39 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1,4-dimethoxycyclohexa-2,4-dien-1-yl]-4,5-dimethoxy-2-(methoxymethyl)benzene is sourced from PubChem (CID 101495739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).