(6-methyl-2-phenylhepta-1,5-dien-3-yl)benzene

C20H22 — CID 71416480

IUPAC(6-methyl-2-phenylhepta-1,5-dien-3-yl)benzene
SMILESC=C(c1ccccc1)C(CC=C(C)C)c1ccccc1
InChIInChI=1S/C20H22/c1-16(2)14-15-20(19-12-8-5-9-13-19)17(3)18-10-6-4-7-11-18/h4-14,20H,3,15H2,1-2H3
InChIKeyNHAYRBZKRJCZQY-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.84
Rot. Bonds5

About (6-methyl-2-phenylhepta-1,5-dien-3-yl)benzene

(6-methyl-2-phenylhepta-1,5-dien-3-yl)benzene (PubChem CID 71416480) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is (6-methyl-2-phenylhepta-1,5-dien-3-yl)benzene.

Molecular Properties

Compound Name(6-methyl-2-phenylhepta-1,5-dien-3-yl)benzene
PubChem CID71416480
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name(6-methyl-2-phenylhepta-1,5-dien-3-yl)benzene
SMILESC=C(c1ccccc1)C(CC=C(C)C)c1ccccc1
InChIInChI=1S/C20H22/c1-16(2)14-15-20(19-12-8-5-9-13-19)17(3)18-10-6-4-7-11-18/h4-14,20H,3,15H2,1-2H3
InChIKeyNHAYRBZKRJCZQY-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.84
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

(2R)-5-methyl-2-phenylhex-4-enoic acid
CID 71722760
2-methylidene-4,5-diphenylhex-5-enoic acid
CID 22146396
N-(4-methyl-1-phenylpent-3-enyl)benzenecarbothioamide
CID 10990098
3-phenylhexa-1,5-dien-2-ol
CID 173444348
2-methyl-3-phenylbut-3-enal
CID 22151894
(2E)-6-methyl-5-phenylhepta-2,6-dienal
CID 10856505
3,7-dimethyl-4-phenylocta-1,6-dien-3-ol
CID 118649482
1,2-diphenylprop-2-en-1-ol
CID 11586526
2-(3-chlorophenyl)-5-methylhex-4-enoic acid
CID 79440640
3-methyl-2-phenylbut-3-en-1-amine
CID 67451506
(2S)-2-benzyl-5-methylhex-4-enal
CID 11424225
(3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal
CID 169128641

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-phenylhepta-1,5-dien-3-yl)benzene?
The IUPAC name of (6-methyl-2-phenylhepta-1,5-dien-3-yl)benzene (CID 71416480) is (6-methyl-2-phenylhepta-1,5-dien-3-yl)benzene.
What is the SMILES notation for (6-methyl-2-phenylhepta-1,5-dien-3-yl)benzene?
The canonical SMILES for (6-methyl-2-phenylhepta-1,5-dien-3-yl)benzene is C=C(c1ccccc1)C(CC=C(C)C)c1ccccc1.
What is the InChIKey of (6-methyl-2-phenylhepta-1,5-dien-3-yl)benzene?
The InChIKey is NHAYRBZKRJCZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-16(2)14-15-20(19-12-8-5-9-13-19)17(3)18-10-6-4-7-11-18/h4-14,20H,3,15H2,1-2H3.
What are the key properties of (6-methyl-2-phenylhepta-1,5-dien-3-yl)benzene?
(6-methyl-2-phenylhepta-1,5-dien-3-yl)benzene has a molecular weight of 262.40 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-phenylhepta-1,5-dien-3-yl)benzene is sourced from PubChem (CID 71416480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).