(3R)-3-(2-phenylethyl)cycloheptene

C15H20 — CID 102587437

IUPAC(3R)-3-(2-phenylethyl)cycloheptene
SMILESC1=C[C@@H](CCc2ccccc2)CCCC1
InChIInChI=1S/C15H20/c1-2-5-9-14(8-4-1)12-13-15-10-6-3-7-11-15/h3-4,6-8,10-11,14H,1-2,5,9,12-13H2/t14-/m1/s1
InChIKeyFDDYNDIOIULAHL-CQSZACIVSA-N
MW200.33 g/mol
LogP4.37
Rot. Bonds3

About (3R)-3-(2-phenylethyl)cycloheptene

(3R)-3-(2-phenylethyl)cycloheptene (PubChem CID 102587437) has the molecular formula C15H20 and a molecular weight of 200.33 g/mol. Its IUPAC name is (3R)-3-(2-phenylethyl)cycloheptene.

Molecular Properties

Compound Name(3R)-3-(2-phenylethyl)cycloheptene
PubChem CID102587437
Molecular FormulaC15H20
Molecular Weight200.33 g/mol
Exact Mass200.16
IUPAC Name(3R)-3-(2-phenylethyl)cycloheptene
SMILESC1=C[C@@H](CCc2ccccc2)CCCC1
InChIInChI=1S/C15H20/c1-2-5-9-14(8-4-1)12-13-15-10-6-3-7-11-15/h3-4,6-8,10-11,14H,1-2,5,9,12-13H2/t14-/m1/s1
InChIKeyFDDYNDIOIULAHL-CQSZACIVSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobut-2-en-1-ylethylbenzene
CID 121007170
2-phenylethylcyclooctane
CID 54073487
(1R)-N,N-dibenzylcyclohept-2-en-1-amine
CID 139091236
3-phenylmethoxycycloheptene
CID 12512694
2-cyclopent-2-en-1-ylethoxymethylbenzene
CID 86221506
cis-(1S,2R)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754802
cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754803
(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol
CID 101047388
1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
CID 20724010
(6R)-1-methyl-2,6-bis(2-phenylethyl)piperidine
CID 59910919
but-3-enylbenzene;3-chlorocyclohexene
CID 144775222
2,5-bis(2-phenylethyl)-2,5-dihydrofuran
CID 177484094

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-phenylethyl)cycloheptene?
The IUPAC name of (3R)-3-(2-phenylethyl)cycloheptene (CID 102587437) is (3R)-3-(2-phenylethyl)cycloheptene.
What is the SMILES notation for (3R)-3-(2-phenylethyl)cycloheptene?
The canonical SMILES for (3R)-3-(2-phenylethyl)cycloheptene is C1=C[C@@H](CCc2ccccc2)CCCC1.
What is the InChIKey of (3R)-3-(2-phenylethyl)cycloheptene?
The InChIKey is FDDYNDIOIULAHL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20/c1-2-5-9-14(8-4-1)12-13-15-10-6-3-7-11-15/h3-4,6-8,10-11,14H,1-2,5,9,12-13H2/t14-/m1/s1.
What are the key properties of (3R)-3-(2-phenylethyl)cycloheptene?
(3R)-3-(2-phenylethyl)cycloheptene has a molecular weight of 200.33 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-phenylethyl)cycloheptene is sourced from PubChem (CID 102587437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).