3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol

C14H18O3 — CID 79334099

IUPAC3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol
SMILESC=CCOc1ccc(C=C(C)CO)cc1OC
InChIInChI=1S/C14H18O3/c1-4-7-17-13-6-5-12(8-11(2)10-15)9-14(13)16-3/h4-6,8-9,15H,1,7,10H2,2-3H3
InChIKeyQTWUWGZEMOLEFU-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.66
Rot. Bonds6

About 3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol

3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol (PubChem CID 79334099) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol
PubChem CID79334099
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol
SMILESC=CCOc1ccc(C=C(C)CO)cc1OC
InChIInChI=1S/C14H18O3/c1-4-7-17-13-6-5-12(8-11(2)10-15)9-14(13)16-3/h4-6,8-9,15H,1,7,10H2,2-3H3
InChIKeyQTWUWGZEMOLEFU-UHFFFAOYSA-N
XLogP2.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335593
2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene
CID 54438729
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335246
3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334564
2-methoxy-4-[(E)-2-nitrobut-1-enyl]-1-prop-2-enoxybenzene
CID 55016454
N-ethyl-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]butan-1-amine
CID 79329986
2-methoxy-4-(4-methyl-2-nitropent-1-enyl)-1-prop-2-enoxybenzene
CID 76949377
(E)-N-(2-hydroxyethyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 78783486
3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one
CID 75849735
2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid
CID 4768018
2-benzamido-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoic acid
CID 4768649
4-(cyclohexylidenemethyl)-2-methoxy-1-prop-2-enoxybenzene
CID 135015384

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol?
The IUPAC name of 3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol (CID 79334099) is 3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol is C=CCOc1ccc(C=C(C)CO)cc1OC.
What is the InChIKey of 3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol?
The InChIKey is QTWUWGZEMOLEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-7-17-13-6-5-12(8-11(2)10-15)9-14(13)16-3/h4-6,8-9,15H,1,7,10H2,2-3H3.
What are the key properties of 3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol?
3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol has a molecular weight of 234.29 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 79334099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).