[(2S,3R)-2-phenylhept-6-en-3-yl]benzene

C19H22 — CID 11097015

IUPAC[(2S,3R)-2-phenylhept-6-en-3-yl]benzene
SMILESC=CCC[C@@H](c1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C19H22/c1-3-4-15-19(18-13-9-6-10-14-18)16(2)17-11-7-5-8-12-17/h3,5-14,16,19H,1,4,15H2,2H3/t16-,19-/m1/s1
InChIKeyKVOYNYACNPSTGK-VQIMIIECSA-N
MW250.39 g/mol
LogP5.54
Rot. Bonds6

About [(2S,3R)-2-phenylhept-6-en-3-yl]benzene

[(2S,3R)-2-phenylhept-6-en-3-yl]benzene (PubChem CID 11097015) has the molecular formula C19H22 and a molecular weight of 250.39 g/mol. Its IUPAC name is [(2S,3R)-2-phenylhept-6-en-3-yl]benzene.

Molecular Properties

Compound Name[(2S,3R)-2-phenylhept-6-en-3-yl]benzene
PubChem CID11097015
Molecular FormulaC19H22
Molecular Weight250.39 g/mol
Exact Mass250.17
IUPAC Name[(2S,3R)-2-phenylhept-6-en-3-yl]benzene
SMILESC=CCC[C@@H](c1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C19H22/c1-3-4-15-19(18-13-9-6-10-14-18)16(2)17-11-7-5-8-12-17/h3,5-14,16,19H,1,4,15H2,2H3/t16-,19-/m1/s1
InChIKeyKVOYNYACNPSTGK-VQIMIIECSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.39
LogP ≤ 55.54
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

[(1S)-1-fluoropent-4-enyl]benzene
CID 69121356
3-phenyloct-7-en-4-ylhydrazine
CID 105311600
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
3,4-diphenylpentanal
CID 102432987
undec-10-en-2-ylbenzene
CID 140694797
tridec-12-en-2-ylbenzene
CID 140694820
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
[(5Z)-5-ethenyl-2-phenylocta-5,7-dien-3-yl]benzene
CID 144577995
1-bromohex-5-enylbenzene
CID 13296849
(2S,3R)-3-phenylhex-5-en-2-ol
CID 129363226
2-phenyl-N-propyloct-7-en-3-amine
CID 114029106
N-(2,2-dimethyl-1-phenylpropyl)hex-5-en-2-amine
CID 113437849

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-phenylhept-6-en-3-yl]benzene?
The IUPAC name of [(2S,3R)-2-phenylhept-6-en-3-yl]benzene (CID 11097015) is [(2S,3R)-2-phenylhept-6-en-3-yl]benzene.
What is the SMILES notation for [(2S,3R)-2-phenylhept-6-en-3-yl]benzene?
The canonical SMILES for [(2S,3R)-2-phenylhept-6-en-3-yl]benzene is C=CCC[C@@H](c1ccccc1)[C@H](C)c1ccccc1.
What is the InChIKey of [(2S,3R)-2-phenylhept-6-en-3-yl]benzene?
The InChIKey is KVOYNYACNPSTGK-VQIMIIECSA-N. The full InChI is InChI=1S/C19H22/c1-3-4-15-19(18-13-9-6-10-14-18)16(2)17-11-7-5-8-12-17/h3,5-14,16,19H,1,4,15H2,2H3/t16-,19-/m1/s1.
What are the key properties of [(2S,3R)-2-phenylhept-6-en-3-yl]benzene?
[(2S,3R)-2-phenylhept-6-en-3-yl]benzene has a molecular weight of 250.39 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-phenylhept-6-en-3-yl]benzene is sourced from PubChem (CID 11097015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).