2-hex-2-enoxyphenol

C12H16O2 — CID 57375343

IUPAC2-hex-2-enoxyphenol
SMILESCCCC=CCOc1ccccc1O
InChIInChI=1S/C12H16O2/c1-2-3-4-7-10-14-12-9-6-5-8-11(12)13/h4-9,13H,2-3,10H2,1H3
InChIKeyRZDBWOOYRPKEGC-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.13
Rot. Bonds5

About 2-hex-2-enoxyphenol

2-hex-2-enoxyphenol (PubChem CID 57375343) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-hex-2-enoxyphenol.

Molecular Properties

Compound Name2-hex-2-enoxyphenol
PubChem CID57375343
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-hex-2-enoxyphenol
SMILESCCCC=CCOc1ccccc1O
InChIInChI=1S/C12H16O2/c1-2-3-4-7-10-14-12-9-6-5-8-11(12)13/h4-9,13H,2-3,10H2,1H3
InChIKeyRZDBWOOYRPKEGC-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-hex-2-enoxy]benzoic acid
CID 15321685
1-[(E)-hex-2-enoxy]anthracene-9,10-dione
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2-[(E)-3-phenylprop-2-enoxy]phenol
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[(E)-hex-2-enyl] 2-hydroxybenzoate
CID 6437473
2-tridecoxyphenol
CID 67178320
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
cobalt;bis(2-decoxyphenol);dihydrate
CID 70521593
1-hex-2-enoxy-4-[2-(4-methoxyphenyl)ethynyl]benzene
CID 70371844
2-[(E)-2-methylhept-3-en-2-yl]phenol
CID 142735625
ethane;2-[(Z)-pent-1-enyl]phenol
CID 142052125
[(Z)-hex-2-enyl] 2-oxo-2-phenylacetate
CID 15312626
1-[(E)-pent-2-enoxy]-2-phenylbenzene
CID 23726702

Frequently Asked Questions

What is the IUPAC name of 2-hex-2-enoxyphenol?
The IUPAC name of 2-hex-2-enoxyphenol (CID 57375343) is 2-hex-2-enoxyphenol.
What is the SMILES notation for 2-hex-2-enoxyphenol?
The canonical SMILES for 2-hex-2-enoxyphenol is CCCC=CCOc1ccccc1O.
What is the InChIKey of 2-hex-2-enoxyphenol?
The InChIKey is RZDBWOOYRPKEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-3-4-7-10-14-12-9-6-5-8-11(12)13/h4-9,13H,2-3,10H2,1H3.
What are the key properties of 2-hex-2-enoxyphenol?
2-hex-2-enoxyphenol has a molecular weight of 192.26 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-2-enoxyphenol is sourced from PubChem (CID 57375343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).