1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene

C14H18O — CID 21495831

IUPAC1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene
SMILESC=CC(=C)C.C=Cc1ccc(OC)cc1
InChIInChI=1S/C9H10O.C5H8/c1-3-8-4-6-9(10-2)7-5-8;1-4-5(2)3/h3-7H,1H2,2H3;4H,1-2H2,3H3
InChIKeyHVNHNVZYDDWOHE-UHFFFAOYSA-N
MW202.30 g/mol
LogP4.09
Rot. Bonds3

About 1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene

1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene (PubChem CID 21495831) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene.

Molecular Properties

Compound Name1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene
PubChem CID21495831
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene
SMILESC=CC(=C)C.C=Cc1ccc(OC)cc1
InChIInChI=1S/C9H10O.C5H8/c1-3-8-4-6-9(10-2)7-5-8;1-4-5(2)3/h3-7H,1H2,2H3;4H,1-2H2,3H3
InChIKeyHVNHNVZYDDWOHE-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-ethenylphenyl)-bis(4-methoxyphenyl)methanol
CID 101342310
1-ethenyl-4-methylbenzene;2-methylbuta-1,3-diene;2-methylprop-1-ene
CID 159294849
bis(1-methoxy-4-methylbenzene);2-methylbuta-1,3-diene;prop-2-enal
CID 172594922
1-ethenyl-4-methoxybenzene;triazine
CID 174412273
1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione
CID 139092302
2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine
CID 59439786
2-methylbuta-1,3-diene;styrene;hydrate
CID 87249473
bis(buta-1,3-diene);2-methylbuta-1,3-diene;styrene
CID 175235906
azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate)
CID 15328821
1-ethenyl-4-methylperoxybenzene
CID 21053359
(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-one
CID 23464062
butane;2-methylbuta-1,3-diene;styrene
CID 161435264

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene?
The IUPAC name of 1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene (CID 21495831) is 1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene.
What is the SMILES notation for 1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene?
The canonical SMILES for 1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene is C=CC(=C)C.C=Cc1ccc(OC)cc1.
What is the InChIKey of 1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene?
The InChIKey is HVNHNVZYDDWOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C5H8/c1-3-8-4-6-9(10-2)7-5-8;1-4-5(2)3/h3-7H,1H2,2H3;4H,1-2H2,3H3.
What are the key properties of 1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene?
1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene has a molecular weight of 202.30 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene is sourced from PubChem (CID 21495831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).