1,3-bis(1-cyclopropylethyl)benzene

C16H22 — CID 91412493

IUPAC1,3-bis(1-cyclopropylethyl)benzene
SMILESCC(c1cccc(C(C)C2CC2)c1)C1CC1
InChIInChI=1S/C16H22/c1-11(13-6-7-13)15-4-3-5-16(10-15)12(2)14-8-9-14/h3-5,10-14H,6-9H2,1-2H3
InChIKeyZVPSUEDMZAECNO-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.71
Rot. Bonds4

About 1,3-bis(1-cyclopropylethyl)benzene

1,3-bis(1-cyclopropylethyl)benzene (PubChem CID 91412493) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1,3-bis(1-cyclopropylethyl)benzene.

Molecular Properties

Compound Name1,3-bis(1-cyclopropylethyl)benzene
PubChem CID91412493
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1,3-bis(1-cyclopropylethyl)benzene
SMILESCC(c1cccc(C(C)C2CC2)c1)C1CC1
InChIInChI=1S/C16H22/c1-11(13-6-7-13)15-4-3-5-16(10-15)12(2)14-8-9-14/h3-5,10-14H,6-9H2,1-2H3
InChIKeyZVPSUEDMZAECNO-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(chloromethyl)-3-[(1S)-1-cyclopropylethyl]benzene
CID 124562311
[3-(1-cyclopropylethyl)phenyl]methanamine
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[(1S)-1-cyclopentylethyl]benzene
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1-cyclobutylethylbenzene
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1-(1-cyclobutylethyl)-3-nitrobenzene
CID 170732279
1-(4-ethylcyclohexyl)ethylbenzene
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CID 115038500
3-[1-(oxolan-3-yl)ethyl]phenol
CID 115019111
3-[1-(thian-3-yl)ethyl]phenol
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3-[1-(3-chlorophenyl)ethyl]piperidine
CID 83910984
(3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-cyclopropylethyl)benzene?
The IUPAC name of 1,3-bis(1-cyclopropylethyl)benzene (CID 91412493) is 1,3-bis(1-cyclopropylethyl)benzene.
What is the SMILES notation for 1,3-bis(1-cyclopropylethyl)benzene?
The canonical SMILES for 1,3-bis(1-cyclopropylethyl)benzene is CC(c1cccc(C(C)C2CC2)c1)C1CC1.
What is the InChIKey of 1,3-bis(1-cyclopropylethyl)benzene?
The InChIKey is ZVPSUEDMZAECNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-11(13-6-7-13)15-4-3-5-16(10-15)12(2)14-8-9-14/h3-5,10-14H,6-9H2,1-2H3.
What are the key properties of 1,3-bis(1-cyclopropylethyl)benzene?
1,3-bis(1-cyclopropylethyl)benzene has a molecular weight of 214.35 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-cyclopropylethyl)benzene is sourced from PubChem (CID 91412493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).