1,2-bis(ethenyl)benzene;5-(4-hydroxyphenyl)-2-methylidenepent-4-enenitrile;styrene

C30H29NO — CID 131742671

IUPAC1,2-bis(ethenyl)benzene;5-(4-hydroxyphenyl)-2-methylidenepent-4-enenitrile;styrene
SMILESC=C(C#N)CC=Cc1ccc(O)cc1.C=Cc1ccccc1.C=Cc1ccccc1C=C
InChIInChI=1S/C12H11NO.C10H10.C8H8/c1-10(9-13)3-2-4-11-5-7-12(14)8-6-11;1-3-9-7-5-6-8-10(9)4-2;1-2-8-6-4-3-5-7-8/h2,4-8,14H,1,3H2;3-8H,1-2H2;2-7H,1H2
InChIKeyHMEKDZSBSCRGPJ-UHFFFAOYSA-N
MW419.57 g/mol
LogP8.18
Rot. Bonds6

About 1,2-bis(ethenyl)benzene;5-(4-hydroxyphenyl)-2-methylidenepent-4-enenitrile;styrene

1,2-bis(ethenyl)benzene;5-(4-hydroxyphenyl)-2-methylidenepent-4-enenitrile;styrene (PubChem CID 131742671) has the molecular formula C30H29NO and a molecular weight of 419.57 g/mol. Its IUPAC name is 1,2-bis(ethenyl)benzene;5-(4-hydroxyphenyl)-2-methylidenepent-4-enenitrile;styrene.

Molecular Properties

Compound Name1,2-bis(ethenyl)benzene;5-(4-hydroxyphenyl)-2-methylidenepent-4-enenitrile;styrene
PubChem CID131742671
Molecular FormulaC30H29NO
Molecular Weight419.57 g/mol
Exact Mass419.22
IUPAC Name1,2-bis(ethenyl)benzene;5-(4-hydroxyphenyl)-2-methylidenepent-4-enenitrile;styrene
SMILESC=C(C#N)CC=Cc1ccc(O)cc1.C=Cc1ccccc1.C=Cc1ccccc1C=C
InChIInChI=1S/C12H11NO.C10H10.C8H8/c1-10(9-13)3-2-4-11-5-7-12(14)8-6-11;1-3-9-7-5-6-8-10(9)4-2;1-2-8-6-4-3-5-7-8/h2,4-8,14H,1,3H2;3-8H,1-2H2;2-7H,1H2
InChIKeyHMEKDZSBSCRGPJ-UHFFFAOYSA-N
XLogP8.18
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 58.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(ethenyl)benzene;4-ethenylphenol
CID 131712069
phenol;styrene
CID 160675765
benzene;ethene;phenol;styrene
CID 174599559
4-phenylbut-3-enoic acid;prop-2-enenitrile
CID 67360679
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-(2-phenylethenyl)phenol
CID 157400568
2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoic acid;styrene
CID 158748751
2-aminoprop-2-enenitrile;buta-1,3-diene;styrene
CID 175257886
4-ethenylphenol;5-phenylpenta-2,4-dienoic acid
CID 86612192
1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene
CID 174491340
1,2-bis(ethenyl)benzene;2-methylprop-2-enal;styrene
CID 161166540
prop-2-enenitrile;styrene
CID 69431186

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)benzene;5-(4-hydroxyphenyl)-2-methylidenepent-4-enenitrile;styrene?
The IUPAC name of 1,2-bis(ethenyl)benzene;5-(4-hydroxyphenyl)-2-methylidenepent-4-enenitrile;styrene (CID 131742671) is 1,2-bis(ethenyl)benzene;5-(4-hydroxyphenyl)-2-methylidenepent-4-enenitrile;styrene.
What is the SMILES notation for 1,2-bis(ethenyl)benzene;5-(4-hydroxyphenyl)-2-methylidenepent-4-enenitrile;styrene?
The canonical SMILES for 1,2-bis(ethenyl)benzene;5-(4-hydroxyphenyl)-2-methylidenepent-4-enenitrile;styrene is C=C(C#N)CC=Cc1ccc(O)cc1.C=Cc1ccccc1.C=Cc1ccccc1C=C.
What is the InChIKey of 1,2-bis(ethenyl)benzene;5-(4-hydroxyphenyl)-2-methylidenepent-4-enenitrile;styrene?
The InChIKey is HMEKDZSBSCRGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO.C10H10.C8H8/c1-10(9-13)3-2-4-11-5-7-12(14)8-6-11;1-3-9-7-5-6-8-10(9)4-2;1-2-8-6-4-3-5-7-8/h2,4-8,14H,1,3H2;3-8H,1-2H2;2-7H,1H2.
What are the key properties of 1,2-bis(ethenyl)benzene;5-(4-hydroxyphenyl)-2-methylidenepent-4-enenitrile;styrene?
1,2-bis(ethenyl)benzene;5-(4-hydroxyphenyl)-2-methylidenepent-4-enenitrile;styrene has a molecular weight of 419.57 g/mol, XLogP of 8.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)benzene;5-(4-hydroxyphenyl)-2-methylidenepent-4-enenitrile;styrene is sourced from PubChem (CID 131742671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).