(2-methyl-1-phenylhept-1-enyl)benzene

C20H24 — CID 173231724

IUPAC(2-methyl-1-phenylhept-1-enyl)benzene
SMILESCCCCCC(C)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24/c1-3-4-7-12-17(2)20(18-13-8-5-9-14-18)19-15-10-6-11-16-19/h5-6,8-11,13-16H,3-4,7,12H2,1-2H3
InChIKeyAICPFQRREWTSKH-UHFFFAOYSA-N
MW264.41 g/mol
LogP6.09
Rot. Bonds6

About (2-methyl-1-phenylhept-1-enyl)benzene

(2-methyl-1-phenylhept-1-enyl)benzene (PubChem CID 173231724) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is (2-methyl-1-phenylhept-1-enyl)benzene.

Molecular Properties

Compound Name(2-methyl-1-phenylhept-1-enyl)benzene
PubChem CID173231724
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name(2-methyl-1-phenylhept-1-enyl)benzene
SMILESCCCCCC(C)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24/c1-3-4-7-12-17(2)20(18-13-8-5-9-14-18)19-15-10-6-11-16-19/h5-6,8-11,13-16H,3-4,7,12H2,1-2H3
InChIKeyAICPFQRREWTSKH-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-methyl-2-phenylundec-2-enoic acid
CID 152642360
2-benzhydrylidenedecanoic acid
CID 174668181
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
hexane;1-phenylethanone
CID 160797049
1-phenylheptadecan-1-one
CID 577626
benzoic acid;octan-2-one
CID 174815510
2-[hydroxy(phenyl)methylidene]heptanoic acid
CID 70376341
benzamide;hexanoic acid
CID 19438402
10-phenyloctadec-9-en-9-amine
CID 140615449
[(Z)-non-3-en-4-yl]benzene
CID 101008148
1,1-difluorohept-1-en-2-ylbenzene
CID 10954812
CID 132915644
CID 132915644

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-phenylhept-1-enyl)benzene?
The IUPAC name of (2-methyl-1-phenylhept-1-enyl)benzene (CID 173231724) is (2-methyl-1-phenylhept-1-enyl)benzene.
What is the SMILES notation for (2-methyl-1-phenylhept-1-enyl)benzene?
The canonical SMILES for (2-methyl-1-phenylhept-1-enyl)benzene is CCCCCC(C)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-methyl-1-phenylhept-1-enyl)benzene?
The InChIKey is AICPFQRREWTSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24/c1-3-4-7-12-17(2)20(18-13-8-5-9-14-18)19-15-10-6-11-16-19/h5-6,8-11,13-16H,3-4,7,12H2,1-2H3.
What are the key properties of (2-methyl-1-phenylhept-1-enyl)benzene?
(2-methyl-1-phenylhept-1-enyl)benzene has a molecular weight of 264.41 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-phenylhept-1-enyl)benzene is sourced from PubChem (CID 173231724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).