1-(2-cyclopropylethyl)-4-(3-propoxyphenyl)benzene

C20H24O — CID 166443409

IUPAC1-(2-cyclopropylethyl)-4-(3-propoxyphenyl)benzene
SMILESCCCOc1cccc(-c2ccc(CCC3CC3)cc2)c1
InChIInChI=1S/C20H24O/c1-2-14-21-20-5-3-4-19(15-20)18-12-10-17(11-13-18)9-8-16-6-7-16/h3-5,10-13,15-16H,2,6-9,14H2,1H3
InChIKeyTWXLOTURESSFHC-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.49
Rot. Bonds7

About 1-(2-cyclopropylethyl)-4-(3-propoxyphenyl)benzene

1-(2-cyclopropylethyl)-4-(3-propoxyphenyl)benzene (PubChem CID 166443409) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-4-(3-propoxyphenyl)benzene.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-4-(3-propoxyphenyl)benzene
PubChem CID166443409
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-(2-cyclopropylethyl)-4-(3-propoxyphenyl)benzene
SMILESCCCOc1cccc(-c2ccc(CCC3CC3)cc2)c1
InChIInChI=1S/C20H24O/c1-2-14-21-20-5-3-4-19(15-20)18-12-10-17(11-13-18)9-8-16-6-7-16/h3-5,10-13,15-16H,2,6-9,14H2,1H3
InChIKeyTWXLOTURESSFHC-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 15641416
1-fluoro-3-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene
CID 18720800
1-[2-[4-(2-chloroethenyl)cyclohexyl]ethyl]-4-(4-propoxyphenyl)benzene
CID 54432080
1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene
CID 59545229
5-propoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
CID 18638428
2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine
CID 19839720
2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine
CID 19839593
2-hydroxy-2-[2-[4-(3-propoxyphenyl)phenyl]ethyl]butanedioic acid
CID 177382808
1-(2-cyclohexylethyl)-4-(4-heptoxyphenyl)benzene
CID 173349748
1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene
CID 173349817
1-[3-(2-pentylcyclohexyl)propoxy]-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
CID 57027738
5-butoxy-2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839954

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-4-(3-propoxyphenyl)benzene?
The IUPAC name of 1-(2-cyclopropylethyl)-4-(3-propoxyphenyl)benzene (CID 166443409) is 1-(2-cyclopropylethyl)-4-(3-propoxyphenyl)benzene.
What is the SMILES notation for 1-(2-cyclopropylethyl)-4-(3-propoxyphenyl)benzene?
The canonical SMILES for 1-(2-cyclopropylethyl)-4-(3-propoxyphenyl)benzene is CCCOc1cccc(-c2ccc(CCC3CC3)cc2)c1.
What is the InChIKey of 1-(2-cyclopropylethyl)-4-(3-propoxyphenyl)benzene?
The InChIKey is TWXLOTURESSFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-2-14-21-20-5-3-4-19(15-20)18-12-10-17(11-13-18)9-8-16-6-7-16/h3-5,10-13,15-16H,2,6-9,14H2,1H3.
What are the key properties of 1-(2-cyclopropylethyl)-4-(3-propoxyphenyl)benzene?
1-(2-cyclopropylethyl)-4-(3-propoxyphenyl)benzene has a molecular weight of 280.41 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-4-(3-propoxyphenyl)benzene is sourced from PubChem (CID 166443409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).