1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene

C12H16O2 — CID 145479406

IUPAC1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene
SMILESC/C=C(\C)OCc1ccc(OC)cc1
InChIInChI=1S/C12H16O2/c1-4-10(2)14-9-11-5-7-12(13-3)8-6-11/h4-8H,9H2,1-3H3/b10-4+
InChIKeyQTUYMNIGZOPSPN-ONNFQVAWSA-N
MW192.26 g/mol
LogP3.14
Rot. Bonds4

About 1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene

1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene (PubChem CID 145479406) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene
PubChem CID145479406
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene
SMILESC/C=C(\C)OCc1ccc(OC)cc1
InChIInChI=1S/C12H16O2/c1-4-10(2)14-9-11-5-7-12(13-3)8-6-11/h4-8H,9H2,1-3H3/b10-4+
InChIKeyQTUYMNIGZOPSPN-ONNFQVAWSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.14
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

1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene
CID 143140381
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
4-[(4-methoxyphenyl)methoxy]-3-methyl-4-oxobut-2-enoic acid
CID 71347952
methane;O-[(4-methoxyphenyl)methyl]hydroxylamine
CID 142048761
4-[(4-methoxyphenyl)methoxy]-3-methyl-4-oxobut-2-enoate
CID 71347951
(4-methoxyphenyl)methyl 2-bromoacetate
CID 10587465
bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate
CID 19075817
(E)-4-ethylimino-3-[(4-methoxyphenyl)methoxy]but-2-en-2-amine
CID 170590461
1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene
CID 135080500
(4-methoxyphenyl)methyl hypobromite
CID 166766888
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene?
The IUPAC name of 1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene (CID 145479406) is 1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene.
What is the SMILES notation for 1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene?
The canonical SMILES for 1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene is C/C=C(\C)OCc1ccc(OC)cc1.
What is the InChIKey of 1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene?
The InChIKey is QTUYMNIGZOPSPN-ONNFQVAWSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-10(2)14-9-11-5-7-12(13-3)8-6-11/h4-8H,9H2,1-3H3/b10-4+.
What are the key properties of 1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene?
1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene has a molecular weight of 192.26 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene is sourced from PubChem (CID 145479406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).