[3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate

C14H18O3 — CID 102471013

IUPAC[3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate
SMILESC=C[C@@H](CCC)Oc1cccc(OC(C)=O)c1
InChIInChI=1S/C14H18O3/c1-4-7-12(5-2)17-14-9-6-8-13(10-14)16-11(3)15/h5-6,8-10,12H,2,4,7H2,1,3H3/t12-/m0/s1
InChIKeyZRAFKHUDOZLZNI-LBPRGKRZSA-N
MW234.29 g/mol
LogP3.35
Rot. Bonds6

About [3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate

[3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate (PubChem CID 102471013) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is [3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate.

Molecular Properties

Compound Name[3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate
PubChem CID102471013
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name[3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate
SMILESC=C[C@@H](CCC)Oc1cccc(OC(C)=O)c1
InChIInChI=1S/C14H18O3/c1-4-7-12(5-2)17-14-9-6-8-13(10-14)16-11(3)15/h5-6,8-10,12H,2,4,7H2,1,3H3/t12-/m0/s1
InChIKeyZRAFKHUDOZLZNI-LBPRGKRZSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hex-1-en-3-yloxybenzaldehyde
CID 73229567
[(3S)-hex-1-en-3-yl]oxybenzene
CID 100974430
1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene
CID 11321707
[3-[(1S)-1-acetyloxyprop-2-enyl]phenyl] acetate
CID 101031330
(3-propylphenyl) acetate
CID 44589271
1-hex-1-en-3-yloxy-4-nitrobenzene
CID 58105900
[4-(3-acetyloxyphenoxy)phenyl] acetate
CID 23459901
[3-(2-ethylbutanoyl)phenyl] acetate
CID 146010613
2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol
CID 139715170
(3-ethoxyphenyl) prop-2-enoate
CID 54380290
[3-[(1S)-1,3-diaminopropyl]phenyl] acetate
CID 171229323
phenyl acetate;propan-1-ol
CID 70298210

Frequently Asked Questions

What is the IUPAC name of [3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate?
The IUPAC name of [3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate (CID 102471013) is [3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate.
What is the SMILES notation for [3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate?
The canonical SMILES for [3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate is C=C[C@@H](CCC)Oc1cccc(OC(C)=O)c1.
What is the InChIKey of [3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate?
The InChIKey is ZRAFKHUDOZLZNI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-7-12(5-2)17-14-9-6-8-13(10-14)16-11(3)15/h5-6,8-10,12H,2,4,7H2,1,3H3/t12-/m0/s1.
What are the key properties of [3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate?
[3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate has a molecular weight of 234.29 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate is sourced from PubChem (CID 102471013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).