1-cyclohexyl-3-ethyl-2-methoxybenzene

C15H22O — CID 70191110

IUPAC1-cyclohexyl-3-ethyl-2-methoxybenzene
SMILESCCc1cccc(C2CCCCC2)c1OC
InChIInChI=1S/C15H22O/c1-3-12-10-7-11-14(15(12)16-2)13-8-5-4-6-9-13/h7,10-11,13H,3-6,8-9H2,1-2H3
InChIKeyHWOQDYNDYUHDFQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.31
Rot. Bonds3

About 1-cyclohexyl-3-ethyl-2-methoxybenzene

1-cyclohexyl-3-ethyl-2-methoxybenzene (PubChem CID 70191110) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethyl-2-methoxybenzene.

Molecular Properties

Compound Name1-cyclohexyl-3-ethyl-2-methoxybenzene
PubChem CID70191110
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-cyclohexyl-3-ethyl-2-methoxybenzene
SMILESCCc1cccc(C2CCCCC2)c1OC
InChIInChI=1S/C15H22O/c1-3-12-10-7-11-14(15(12)16-2)13-8-5-4-6-9-13/h7,10-11,13H,3-6,8-9H2,1-2H3
InChIKeyHWOQDYNDYUHDFQ-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-ethyl-2-methoxybenzene?
The IUPAC name of 1-cyclohexyl-3-ethyl-2-methoxybenzene (CID 70191110) is 1-cyclohexyl-3-ethyl-2-methoxybenzene.
What is the SMILES notation for 1-cyclohexyl-3-ethyl-2-methoxybenzene?
The canonical SMILES for 1-cyclohexyl-3-ethyl-2-methoxybenzene is CCc1cccc(C2CCCCC2)c1OC.
What is the InChIKey of 1-cyclohexyl-3-ethyl-2-methoxybenzene?
The InChIKey is HWOQDYNDYUHDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-3-12-10-7-11-14(15(12)16-2)13-8-5-4-6-9-13/h7,10-11,13H,3-6,8-9H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-ethyl-2-methoxybenzene?
1-cyclohexyl-3-ethyl-2-methoxybenzene has a molecular weight of 218.34 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-ethyl-2-methoxybenzene is sourced from PubChem (CID 70191110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).