3-(4-dodecoxy-3-prop-2-enylphenyl)prop-2-en-1-ol

C24H38O2 — CID 75081708

IUPAC3-(4-dodecoxy-3-prop-2-enylphenyl)prop-2-en-1-ol
SMILESC=CCc1cc(C=CCO)ccc1OCCCCCCCCCCCC
InChIInChI=1S/C24H38O2/c1-3-5-6-7-8-9-10-11-12-13-20-26-24-18-17-22(16-14-19-25)21-23(24)15-4-2/h4,14,16-18,21,25H,2-3,5-13,15,19-20H2,1H3
InChIKeyHHYLFILNORVBHE-UHFFFAOYSA-N
MW358.57 g/mol
LogP6.72
Rot. Bonds16

About 3-(4-dodecoxy-3-prop-2-enylphenyl)prop-2-en-1-ol

3-(4-dodecoxy-3-prop-2-enylphenyl)prop-2-en-1-ol (PubChem CID 75081708) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is 3-(4-dodecoxy-3-prop-2-enylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(4-dodecoxy-3-prop-2-enylphenyl)prop-2-en-1-ol
PubChem CID75081708
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Name3-(4-dodecoxy-3-prop-2-enylphenyl)prop-2-en-1-ol
SMILESC=CCc1cc(C=CCO)ccc1OCCCCCCCCCCCC
InChIInChI=1S/C24H38O2/c1-3-5-6-7-8-9-10-11-12-13-20-26-24-18-17-22(16-14-19-25)21-23(24)15-4-2/h4,14,16-18,21,25H,2-3,5-13,15,19-20H2,1H3
InChIKeyHHYLFILNORVBHE-UHFFFAOYSA-N
XLogP6.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-pentoxy-3-prop-2-enylphenyl)ethanone
CID 54849741
3-[4-[(3,4-dichlorophenyl)methoxy]-3-prop-2-enylphenyl]prop-2-en-1-ol
CID 75081705
4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol
CID 12641154
(E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol
CID 44610392
4-hexoxy-2-prop-2-enylphenol;methane
CID 70388285
4-[2-[4-[2-(3,4-didodecoxyphenyl)ethenyl]phenyl]ethenyl]-1,2-dimethylbenzene
CID 167643025
4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 155030696
4-butoxy-1-prop-2-enyl-2-propoxybenzene
CID 24770089
3-(hydroxymethyl)-4-nonoxyphenol
CID 14278819
2-ethenyl-1,4-di(tetradecoxy)benzene
CID 102407771
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
4-[2-[4-[2-[3,4-bis(6-hexoxyhexyl)phenyl]ethenyl]phenyl]ethenyl]-1,2-didodecoxybenzene
CID 162476666

Frequently Asked Questions

What is the IUPAC name of 3-(4-dodecoxy-3-prop-2-enylphenyl)prop-2-en-1-ol?
The IUPAC name of 3-(4-dodecoxy-3-prop-2-enylphenyl)prop-2-en-1-ol (CID 75081708) is 3-(4-dodecoxy-3-prop-2-enylphenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(4-dodecoxy-3-prop-2-enylphenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(4-dodecoxy-3-prop-2-enylphenyl)prop-2-en-1-ol is C=CCc1cc(C=CCO)ccc1OCCCCCCCCCCCC.
What is the InChIKey of 3-(4-dodecoxy-3-prop-2-enylphenyl)prop-2-en-1-ol?
The InChIKey is HHYLFILNORVBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O2/c1-3-5-6-7-8-9-10-11-12-13-20-26-24-18-17-22(16-14-19-25)21-23(24)15-4-2/h4,14,16-18,21,25H,2-3,5-13,15,19-20H2,1H3.
What are the key properties of 3-(4-dodecoxy-3-prop-2-enylphenyl)prop-2-en-1-ol?
3-(4-dodecoxy-3-prop-2-enylphenyl)prop-2-en-1-ol has a molecular weight of 358.57 g/mol, XLogP of 6.72, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dodecoxy-3-prop-2-enylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 75081708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).