(E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol

C12H16O2 — CID 143867297

IUPAC(E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol
SMILESCOc1ccc(C)cc1/C=C/CCO
InChIInChI=1S/C12H16O2/c1-10-6-7-12(14-2)11(9-10)5-3-4-8-13/h3,5-7,9,13H,4,8H2,1-2H3/b5-3+
InChIKeyLJERYYHRJBNTJU-HWKANZROSA-N
MW192.26 g/mol
LogP2.40
Rot. Bonds4

About (E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol

(E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol (PubChem CID 143867297) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol
PubChem CID143867297
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol
SMILESCOc1ccc(C)cc1/C=C/CCO
InChIInChI=1S/C12H16O2/c1-10-6-7-12(14-2)11(9-10)5-3-4-8-13/h3,5-7,9,13H,4,8H2,1-2H3/b5-3+
InChIKeyLJERYYHRJBNTJU-HWKANZROSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-dimethoxyphenyl)but-3-en-1-ol
CID 170476817
(E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol
CID 143867243
ethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene
CID 143806665
2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene
CID 169477246
ethane;1-methoxy-2-[(E)-7-methoxyhept-1-enyl]-4-methylbenzene
CID 143822214
ethane;1-methoxy-2-[(E)-7-methoxyhept-1-enyl]-4-methylbenzene
CID 143806752
ethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol
CID 143867312
(E)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 15330930
(Z)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 11789784
ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol
CID 143822201
ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene
CID 143806811
tert-butyl N-[4-(2-methoxy-5-methylphenyl)but-3-enyl]carbamate
CID 170490365

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol?
The IUPAC name of (E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol (CID 143867297) is (E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol.
What is the SMILES notation for (E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol?
The canonical SMILES for (E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol is COc1ccc(C)cc1/C=C/CCO.
What is the InChIKey of (E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol?
The InChIKey is LJERYYHRJBNTJU-HWKANZROSA-N. The full InChI is InChI=1S/C12H16O2/c1-10-6-7-12(14-2)11(9-10)5-3-4-8-13/h3,5-7,9,13H,4,8H2,1-2H3/b5-3+.
What are the key properties of (E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol?
(E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol has a molecular weight of 192.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol is sourced from PubChem (CID 143867297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).