2-(4-ethenylphenyl)ethanol;2-[(4-ethenylphenyl)methyl]oxirane;styrene

C29H32O2 — CID 87308864

IUPAC2-(4-ethenylphenyl)ethanol;2-[(4-ethenylphenyl)methyl]oxirane;styrene
SMILESC=Cc1ccc(CC2CO2)cc1.C=Cc1ccc(CCO)cc1.C=Cc1ccccc1
InChIInChI=1S/C11H12O.C10H12O.C8H8/c1-2-9-3-5-10(6-4-9)7-11-8-12-11;1-2-9-3-5-10(6-4-9)7-8-11;1-2-8-6-4-3-5-7-8/h2-6,11H,1,7-8H2;2-6,11H,1,7-8H2;2-7H,1H2
InChIKeyLKYGHEXXDXCLQF-UHFFFAOYSA-N
MW412.57 g/mol
LogP6.46
Rot. Bonds7

About 2-(4-ethenylphenyl)ethanol;2-[(4-ethenylphenyl)methyl]oxirane;styrene

2-(4-ethenylphenyl)ethanol;2-[(4-ethenylphenyl)methyl]oxirane;styrene (PubChem CID 87308864) has the molecular formula C29H32O2 and a molecular weight of 412.57 g/mol. Its IUPAC name is 2-(4-ethenylphenyl)ethanol;2-[(4-ethenylphenyl)methyl]oxirane;styrene.

Molecular Properties

Compound Name2-(4-ethenylphenyl)ethanol;2-[(4-ethenylphenyl)methyl]oxirane;styrene
PubChem CID87308864
Molecular FormulaC29H32O2
Molecular Weight412.57 g/mol
Exact Mass412.24
IUPAC Name2-(4-ethenylphenyl)ethanol;2-[(4-ethenylphenyl)methyl]oxirane;styrene
SMILESC=Cc1ccc(CC2CO2)cc1.C=Cc1ccc(CCO)cc1.C=Cc1ccccc1
InChIInChI=1S/C11H12O.C10H12O.C8H8/c1-2-9-3-5-10(6-4-9)7-11-8-12-11;1-2-9-3-5-10(6-4-9)7-8-11;1-2-8-6-4-3-5-7-8/h2-6,11H,1,7-8H2;2-6,11H,1,7-8H2;2-7H,1H2
InChIKeyLKYGHEXXDXCLQF-UHFFFAOYSA-N
XLogP6.46
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.57
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

bis(2-(methoxymethyl)oxirane);styrene
CID 174797956
2-(methoxymethyl)oxirane;styrene
CID 174459106
2-[[4-[3-[4-(oxiran-2-ylmethyl)phenyl]propyl]phenyl]methyl]oxirane
CID 57324598
3-[4-(oxiran-2-ylmethyl)phenyl]-1-phenylprop-2-en-1-one
CID 54184037
2-(prop-2-enoxymethyl)oxirane;styrene
CID 21400005
2-[3-(4-ethenylphenyl)propoxymethyl]oxirane
CID 141222806
3-[4-[2-[4-(3-hydroxypropyl)phenyl]-1,2-bis[4-(oxiran-2-ylmethyl)phenyl]ethyl]phenyl]propan-1-ol
CID 88560197
1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
CID 89417368
2-[2-[4-(4-ethenylphenyl)butoxy]ethyl]oxirane
CID 141222856
(2R)-2-[[4-[[4-[[(2S)-oxiran-2-yl]methyl]phenyl]methyl]phenyl]methyl]oxirane
CID 129383518
methyl-bis[4-(oxiran-2-ylmethyl)phenyl]-phenylsilane
CID 59467325

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylphenyl)ethanol;2-[(4-ethenylphenyl)methyl]oxirane;styrene?
The IUPAC name of 2-(4-ethenylphenyl)ethanol;2-[(4-ethenylphenyl)methyl]oxirane;styrene (CID 87308864) is 2-(4-ethenylphenyl)ethanol;2-[(4-ethenylphenyl)methyl]oxirane;styrene.
What is the SMILES notation for 2-(4-ethenylphenyl)ethanol;2-[(4-ethenylphenyl)methyl]oxirane;styrene?
The canonical SMILES for 2-(4-ethenylphenyl)ethanol;2-[(4-ethenylphenyl)methyl]oxirane;styrene is C=Cc1ccc(CC2CO2)cc1.C=Cc1ccc(CCO)cc1.C=Cc1ccccc1.
What is the InChIKey of 2-(4-ethenylphenyl)ethanol;2-[(4-ethenylphenyl)methyl]oxirane;styrene?
The InChIKey is LKYGHEXXDXCLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O.C10H12O.C8H8/c1-2-9-3-5-10(6-4-9)7-11-8-12-11;1-2-9-3-5-10(6-4-9)7-8-11;1-2-8-6-4-3-5-7-8/h2-6,11H,1,7-8H2;2-6,11H,1,7-8H2;2-7H,1H2.
What are the key properties of 2-(4-ethenylphenyl)ethanol;2-[(4-ethenylphenyl)methyl]oxirane;styrene?
2-(4-ethenylphenyl)ethanol;2-[(4-ethenylphenyl)methyl]oxirane;styrene has a molecular weight of 412.57 g/mol, XLogP of 6.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylphenyl)ethanol;2-[(4-ethenylphenyl)methyl]oxirane;styrene is sourced from PubChem (CID 87308864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).