(E)-6-(3-methoxyphenyl)hex-5-en-1-ol

C13H18O2 — CID 14739737

IUPAC(E)-6-(3-methoxyphenyl)hex-5-en-1-ol
SMILESCOc1cccc(/C=C/CCCCO)c1
InChIInChI=1S/C13H18O2/c1-15-13-9-6-8-12(11-13)7-4-2-3-5-10-14/h4,6-9,11,14H,2-3,5,10H2,1H3/b7-4+
InChIKeyOOBBWDKBJDAXEN-QPJJXVBHSA-N
MW206.28 g/mol
LogP2.87
Rot. Bonds6

About (E)-6-(3-methoxyphenyl)hex-5-en-1-ol

(E)-6-(3-methoxyphenyl)hex-5-en-1-ol (PubChem CID 14739737) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (E)-6-(3-methoxyphenyl)hex-5-en-1-ol.

Molecular Properties

Compound Name(E)-6-(3-methoxyphenyl)hex-5-en-1-ol
PubChem CID14739737
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(E)-6-(3-methoxyphenyl)hex-5-en-1-ol
SMILESCOc1cccc(/C=C/CCCCO)c1
InChIInChI=1S/C13H18O2/c1-15-13-9-6-8-12(11-13)7-4-2-3-5-10-14/h4,6-9,11,14H,2-3,5,10H2,1H3/b7-4+
InChIKeyOOBBWDKBJDAXEN-QPJJXVBHSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 5382989
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3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
(E)-9-phenylnon-8-en-1-ol
CID 10489025
[(E)-3-(3-methoxyphenyl)prop-2-enyl] formate
CID 173173536
(E)-6-(3-methoxyphenyl)hex-5-en-3-one
CID 71490780
(E)-N-ethyl-N-(3-hydroxypropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 115771272
2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol
CID 59969522
3-[(E)-hex-1-enyl]phenol
CID 121007177
6-[3-(methoxymethoxy)phenyl]hex-5-enoic acid
CID 139922099
2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane
CID 117062487
(E)-6-(4-methylphenyl)hex-5-en-1-ol
CID 14739740

Frequently Asked Questions

What is the IUPAC name of (E)-6-(3-methoxyphenyl)hex-5-en-1-ol?
The IUPAC name of (E)-6-(3-methoxyphenyl)hex-5-en-1-ol (CID 14739737) is (E)-6-(3-methoxyphenyl)hex-5-en-1-ol.
What is the SMILES notation for (E)-6-(3-methoxyphenyl)hex-5-en-1-ol?
The canonical SMILES for (E)-6-(3-methoxyphenyl)hex-5-en-1-ol is COc1cccc(/C=C/CCCCO)c1.
What is the InChIKey of (E)-6-(3-methoxyphenyl)hex-5-en-1-ol?
The InChIKey is OOBBWDKBJDAXEN-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H18O2/c1-15-13-9-6-8-12(11-13)7-4-2-3-5-10-14/h4,6-9,11,14H,2-3,5,10H2,1H3/b7-4+.
What are the key properties of (E)-6-(3-methoxyphenyl)hex-5-en-1-ol?
(E)-6-(3-methoxyphenyl)hex-5-en-1-ol has a molecular weight of 206.28 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(3-methoxyphenyl)hex-5-en-1-ol is sourced from PubChem (CID 14739737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).