1-[1-[6-(cyclopropylmethyl)cyclohexa-2,4-dien-1-yl]ethyl]-4-ethoxybenzene

C20H26O — CID 141057167

IUPAC1-[1-[6-(cyclopropylmethyl)cyclohexa-2,4-dien-1-yl]ethyl]-4-ethoxybenzene
SMILESCCOc1ccc(C(C)C2C=CC=CC2CC2CC2)cc1
InChIInChI=1S/C20H26O/c1-3-21-19-12-10-17(11-13-19)15(2)20-7-5-4-6-18(20)14-16-8-9-16/h4-7,10-13,15-16,18,20H,3,8-9,14H2,1-2H3
InChIKeyFKYLBPUHHOLBBR-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.35
Rot. Bonds6

About 1-[1-[6-(cyclopropylmethyl)cyclohexa-2,4-dien-1-yl]ethyl]-4-ethoxybenzene

1-[1-[6-(cyclopropylmethyl)cyclohexa-2,4-dien-1-yl]ethyl]-4-ethoxybenzene (PubChem CID 141057167) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[1-[6-(cyclopropylmethyl)cyclohexa-2,4-dien-1-yl]ethyl]-4-ethoxybenzene.

Molecular Properties

Compound Name1-[1-[6-(cyclopropylmethyl)cyclohexa-2,4-dien-1-yl]ethyl]-4-ethoxybenzene
PubChem CID141057167
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-[1-[6-(cyclopropylmethyl)cyclohexa-2,4-dien-1-yl]ethyl]-4-ethoxybenzene
SMILESCCOc1ccc(C(C)C2C=CC=CC2CC2CC2)cc1
InChIInChI=1S/C20H26O/c1-3-21-19-12-10-17(11-13-19)15(2)20-7-5-4-6-18(20)14-16-8-9-16/h4-7,10-13,15-16,18,20H,3,8-9,14H2,1-2H3
InChIKeyFKYLBPUHHOLBBR-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine
CID 83153985
1-(4-ethoxyphenyl)-2-methylbutan-1-amine
CID 12771706
N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64500026
1-ethoxy-4-(4-methylpentan-2-yl)benzene
CID 57011514
1-[1-(cyclopropylmethylsulfonyl)propan-2-yl]-4-[2-(4-ethoxyphenyl)ethynyl]benzene
CID 159402633
1-(1-bromo-2-methylbutyl)-4-ethoxybenzene
CID 63436936
N-[1-(4-ethoxyphenyl)ethyl]thian-4-amine
CID 43233377
(4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine
CID 65422984
2-cyclopentyl-1-(4-ethoxyphenyl)ethanol
CID 61101248
[(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride
CID 89251854
1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene
CID 63437137
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(cyclopropylmethyl)cyclohexa-2,4-dien-1-yl]ethyl]-4-ethoxybenzene?
The IUPAC name of 1-[1-[6-(cyclopropylmethyl)cyclohexa-2,4-dien-1-yl]ethyl]-4-ethoxybenzene (CID 141057167) is 1-[1-[6-(cyclopropylmethyl)cyclohexa-2,4-dien-1-yl]ethyl]-4-ethoxybenzene.
What is the SMILES notation for 1-[1-[6-(cyclopropylmethyl)cyclohexa-2,4-dien-1-yl]ethyl]-4-ethoxybenzene?
The canonical SMILES for 1-[1-[6-(cyclopropylmethyl)cyclohexa-2,4-dien-1-yl]ethyl]-4-ethoxybenzene is CCOc1ccc(C(C)C2C=CC=CC2CC2CC2)cc1.
What is the InChIKey of 1-[1-[6-(cyclopropylmethyl)cyclohexa-2,4-dien-1-yl]ethyl]-4-ethoxybenzene?
The InChIKey is FKYLBPUHHOLBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-3-21-19-12-10-17(11-13-19)15(2)20-7-5-4-6-18(20)14-16-8-9-16/h4-7,10-13,15-16,18,20H,3,8-9,14H2,1-2H3.
What are the key properties of 1-[1-[6-(cyclopropylmethyl)cyclohexa-2,4-dien-1-yl]ethyl]-4-ethoxybenzene?
1-[1-[6-(cyclopropylmethyl)cyclohexa-2,4-dien-1-yl]ethyl]-4-ethoxybenzene has a molecular weight of 282.43 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(cyclopropylmethyl)cyclohexa-2,4-dien-1-yl]ethyl]-4-ethoxybenzene is sourced from PubChem (CID 141057167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).