2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol

C12H16O3 — CID 59969522

IUPAC2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=C/CCCO)c1
InChIInChI=1S/C12H16O3/c1-15-11-6-7-12(14)10(9-11)5-3-2-4-8-13/h3,5-7,9,13-14H,2,4,8H2,1H3/b5-3+
InChIKeyKNBRMNCSMXRURO-HWKANZROSA-N
MW208.26 g/mol
LogP2.19
Rot. Bonds5

About 2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol

2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol (PubChem CID 59969522) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol
PubChem CID59969522
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=C/CCCO)c1
InChIInChI=1S/C12H16O3/c1-15-11-6-7-12(14)10(9-11)5-3-2-4-8-13/h3,5-7,9,13-14H,2,4,8H2,1H3/b5-3+
InChIKeyKNBRMNCSMXRURO-HWKANZROSA-N
XLogP2.19
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxyprop-1-enyl)-4-methoxyphenol
CID 169453185
4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile
CID 170799520
4-(2,5-dimethoxyphenyl)but-3-en-1-ol
CID 170476817
S-[3-(2-hydroxy-5-methoxyphenyl)prop-2-enyl] ethanethioate
CID 169457045
2-[5-[[4-(ethoxymethyl)phenyl]-diethylsilyl]oxypent-1-enyl]-4-methoxyphenol
CID 72610012
4-(2-hydroxy-5-methoxyphenyl)but-3-en-2-one
CID 67020173
(E)-6-(3-methoxyphenyl)hex-5-en-1-ol
CID 14739737
(E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine
CID 95444282
(E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enamide
CID 55266805
butyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 70069057
ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 12536283
ethyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 85440976

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol?
The IUPAC name of 2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol (CID 59969522) is 2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol?
The canonical SMILES for 2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol is COc1ccc(O)c(/C=C/CCCO)c1.
What is the InChIKey of 2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol?
The InChIKey is KNBRMNCSMXRURO-HWKANZROSA-N. The full InChI is InChI=1S/C12H16O3/c1-15-11-6-7-12(14)10(9-11)5-3-2-4-8-13/h3,5-7,9,13-14H,2,4,8H2,1H3/b5-3+.
What are the key properties of 2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol?
2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol has a molecular weight of 208.26 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol is sourced from PubChem (CID 59969522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).