1-methoxy-2-[(E)-4-methoxybut-3-enyl]benzene

C12H16O2 — CID 101154232

IUPAC1-methoxy-2-[(E)-4-methoxybut-3-enyl]benzene
SMILESCO/C=C/CCc1ccccc1OC
InChIInChI=1S/C12H16O2/c1-13-10-6-5-8-11-7-3-4-9-12(11)14-2/h3-4,6-7,9-10H,5,8H2,1-2H3/b10-6+
InChIKeyRBKSNOPPBMUBDN-UXBLZVDNSA-N
MW192.26 g/mol
LogP2.79
Rot. Bonds5

About 1-methoxy-2-[(E)-4-methoxybut-3-enyl]benzene

1-methoxy-2-[(E)-4-methoxybut-3-enyl]benzene (PubChem CID 101154232) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-methoxy-2-[(E)-4-methoxybut-3-enyl]benzene.

Molecular Properties

Compound Name1-methoxy-2-[(E)-4-methoxybut-3-enyl]benzene
PubChem CID101154232
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-methoxy-2-[(E)-4-methoxybut-3-enyl]benzene
SMILESCO/C=C/CCc1ccccc1OC
InChIInChI=1S/C12H16O2/c1-13-10-6-5-8-11-7-3-4-9-12(11)14-2/h3-4,6-7,9-10H,5,8H2,1-2H3/b10-6+
InChIKeyRBKSNOPPBMUBDN-UXBLZVDNSA-N
XLogP2.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene
CID 175444939
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
1-[4,4-bis(4-methylphenyl)but-3-enyl]-2-methoxybenzene
CID 71377870
acetylene;1-(2-bromoethyl)-2-methoxybenzene
CID 143927772
1-(3,3-dimethylbutyl)-2-methoxybenzene
CID 15437580
CID 88740626
CID 88740626
1-methoxy-2-tetradecylbenzene
CID 69169530
1-(3-bromoprop-2-enyl)-2-methoxybenzene
CID 141455230
1-methoxy-2-(3,3,3-trifluoropropyl)benzene
CID 162553251
(2-(111C)methoxyphenyl)methanol
CID 59897789

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(E)-4-methoxybut-3-enyl]benzene?
The IUPAC name of 1-methoxy-2-[(E)-4-methoxybut-3-enyl]benzene (CID 101154232) is 1-methoxy-2-[(E)-4-methoxybut-3-enyl]benzene.
What is the SMILES notation for 1-methoxy-2-[(E)-4-methoxybut-3-enyl]benzene?
The canonical SMILES for 1-methoxy-2-[(E)-4-methoxybut-3-enyl]benzene is CO/C=C/CCc1ccccc1OC.
What is the InChIKey of 1-methoxy-2-[(E)-4-methoxybut-3-enyl]benzene?
The InChIKey is RBKSNOPPBMUBDN-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H16O2/c1-13-10-6-5-8-11-7-3-4-9-12(11)14-2/h3-4,6-7,9-10H,5,8H2,1-2H3/b10-6+.
What are the key properties of 1-methoxy-2-[(E)-4-methoxybut-3-enyl]benzene?
1-methoxy-2-[(E)-4-methoxybut-3-enyl]benzene has a molecular weight of 192.26 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(E)-4-methoxybut-3-enyl]benzene is sourced from PubChem (CID 101154232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).