1-[3-(cyclohexen-1-yl)propyl]-2,4-dimethoxy-3-methylbenzene

C18H26O2 — CID 90899988

IUPAC1-[3-(cyclohexen-1-yl)propyl]-2,4-dimethoxy-3-methylbenzene
SMILESCOc1ccc(CCCC2=CCCCC2)c(OC)c1C
InChIInChI=1S/C18H26O2/c1-14-17(19-2)13-12-16(18(14)20-3)11-7-10-15-8-5-4-6-9-15/h8,12-13H,4-7,9-11H2,1-3H3
InChIKeyYARWGQCVTPGEJO-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.84
Rot. Bonds6

About 1-[3-(cyclohexen-1-yl)propyl]-2,4-dimethoxy-3-methylbenzene

1-[3-(cyclohexen-1-yl)propyl]-2,4-dimethoxy-3-methylbenzene (PubChem CID 90899988) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-[3-(cyclohexen-1-yl)propyl]-2,4-dimethoxy-3-methylbenzene.

Molecular Properties

Compound Name1-[3-(cyclohexen-1-yl)propyl]-2,4-dimethoxy-3-methylbenzene
PubChem CID90899988
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-[3-(cyclohexen-1-yl)propyl]-2,4-dimethoxy-3-methylbenzene
SMILESCOc1ccc(CCCC2=CCCCC2)c(OC)c1C
InChIInChI=1S/C18H26O2/c1-14-17(19-2)13-12-16(18(14)20-3)11-7-10-15-8-5-4-6-9-15/h8,12-13H,4-7,9-11H2,1-3H3
InChIKeyYARWGQCVTPGEJO-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
2-(cyclohexen-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 18778647
1-butylcyclononene
CID 56981158
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 27666325
2-[2-(cyclohexen-1-yl)ethylsulfanylmethyl]-3,4-dimethoxypyridine
CID 154876645
1-N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136159
1-octylcyclohexene
CID 519088
1-pentylcyclododecene
CID 150654776
1,3-dibutyl-2,4-dimethoxybenzene
CID 162495747
2-(2,4-dimethoxy-3-methylphenyl)ethyl-methylcyanamide
CID 117043515
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
N-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100542510

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexen-1-yl)propyl]-2,4-dimethoxy-3-methylbenzene?
The IUPAC name of 1-[3-(cyclohexen-1-yl)propyl]-2,4-dimethoxy-3-methylbenzene (CID 90899988) is 1-[3-(cyclohexen-1-yl)propyl]-2,4-dimethoxy-3-methylbenzene.
What is the SMILES notation for 1-[3-(cyclohexen-1-yl)propyl]-2,4-dimethoxy-3-methylbenzene?
The canonical SMILES for 1-[3-(cyclohexen-1-yl)propyl]-2,4-dimethoxy-3-methylbenzene is COc1ccc(CCCC2=CCCCC2)c(OC)c1C.
What is the InChIKey of 1-[3-(cyclohexen-1-yl)propyl]-2,4-dimethoxy-3-methylbenzene?
The InChIKey is YARWGQCVTPGEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-14-17(19-2)13-12-16(18(14)20-3)11-7-10-15-8-5-4-6-9-15/h8,12-13H,4-7,9-11H2,1-3H3.
What are the key properties of 1-[3-(cyclohexen-1-yl)propyl]-2,4-dimethoxy-3-methylbenzene?
1-[3-(cyclohexen-1-yl)propyl]-2,4-dimethoxy-3-methylbenzene has a molecular weight of 274.40 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexen-1-yl)propyl]-2,4-dimethoxy-3-methylbenzene is sourced from PubChem (CID 90899988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).