1-methoxy-4-[2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzene

C18H24O2 — CID 146983352

IUPAC1-methoxy-4-[2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzene
SMILESCOC1=CC=C(C(C)(C)c2ccc(OC)cc2)CC1C
InChIInChI=1S/C18H24O2/c1-13-12-15(8-11-17(13)20-5)18(2,3)14-6-9-16(19-4)10-7-14/h6-11,13H,12H2,1-5H3
InChIKeyAOTGKCHDLFLNDI-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.47
Rot. Bonds4

About 1-methoxy-4-[2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzene

1-methoxy-4-[2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzene (PubChem CID 146983352) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-methoxy-4-[2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzene
PubChem CID146983352
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name1-methoxy-4-[2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzene
SMILESCOC1=CC=C(C(C)(C)c2ccc(OC)cc2)CC1C
InChIInChI=1S/C18H24O2/c1-13-12-15(8-11-17(13)20-5)18(2,3)14-6-9-16(19-4)10-7-14/h6-11,13H,12H2,1-5H3
InChIKeyAOTGKCHDLFLNDI-UHFFFAOYSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzene?
The IUPAC name of 1-methoxy-4-[2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzene (CID 146983352) is 1-methoxy-4-[2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzene?
The canonical SMILES for 1-methoxy-4-[2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzene is COC1=CC=C(C(C)(C)c2ccc(OC)cc2)CC1C.
What is the InChIKey of 1-methoxy-4-[2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzene?
The InChIKey is AOTGKCHDLFLNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-13-12-15(8-11-17(13)20-5)18(2,3)14-6-9-16(19-4)10-7-14/h6-11,13H,12H2,1-5H3.
What are the key properties of 1-methoxy-4-[2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzene?
1-methoxy-4-[2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzene has a molecular weight of 272.39 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzene is sourced from PubChem (CID 146983352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).