1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane

C19H22 — CID 144938526

IUPAC1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane
SMILESC.C/C=C\C(=C/C)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H18.CH4/c1-3-9-15(4-2)17-12-8-13-18(14-17)16-10-6-5-7-11-16;/h3-14H,1-2H3;1H4/b9-3-,15-4+;
InChIKeyPHTMTPVXDNJPQQ-MUQZJOHJSA-N
MW250.38 g/mol
LogP5.97
Rot. Bonds3

About 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane

1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane (PubChem CID 144938526) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane.

Molecular Properties

Compound Name1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane
PubChem CID144938526
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane
SMILESC.C/C=C\C(=C/C)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H18.CH4/c1-3-9-15(4-2)17-12-8-13-18(14-17)16-10-6-5-7-11-16;/h3-14H,1-2H3;1H4/b9-3-,15-4+;
InChIKeyPHTMTPVXDNJPQQ-MUQZJOHJSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane?
The IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane (CID 144938526) is 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane.
What is the SMILES notation for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane?
The canonical SMILES for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane is C.C/C=C\C(=C/C)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane?
The InChIKey is PHTMTPVXDNJPQQ-MUQZJOHJSA-N. The full InChI is InChI=1S/C18H18.CH4/c1-3-9-15(4-2)17-12-8-13-18(14-17)16-10-6-5-7-11-16;/h3-14H,1-2H3;1H4/b9-3-,15-4+;.
What are the key properties of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane?
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane has a molecular weight of 250.38 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane is sourced from PubChem (CID 144938526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).