2-[5-(3-hydroxyprop-1-enyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol

C14H18O3 — CID 162946571

IUPAC2-[5-(3-hydroxyprop-1-enyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
SMILESCC(C)(O)C1Cc2cc(C=CCO)ccc2O1
InChIInChI=1S/C14H18O3/c1-14(2,16)13-9-11-8-10(4-3-7-15)5-6-12(11)17-13/h3-6,8,13,15-16H,7,9H2,1-2H3
InChIKeyURAVGAVOMPKTLI-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.77
Rot. Bonds3

About 2-[5-(3-hydroxyprop-1-enyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol

2-[5-(3-hydroxyprop-1-enyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol (PubChem CID 162946571) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-[5-(3-hydroxyprop-1-enyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(3-hydroxyprop-1-enyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
PubChem CID162946571
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-[5-(3-hydroxyprop-1-enyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
SMILESCC(C)(O)C1Cc2cc(C=CCO)ccc2O1
InChIInChI=1S/C14H18O3/c1-14(2,16)13-9-11-8-10(4-3-7-15)5-6-12(11)17-13/h3-6,8,13,15-16H,7,9H2,1-2H3
InChIKeyURAVGAVOMPKTLI-UHFFFAOYSA-N
XLogP1.77
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Mephenesin
CID 4059
2,3-Dihydro-2,2-dimethyl-7-benzofuranol
CID 15278
4-Nonylphenol diethoxylate
CID 24773
2-(p-Nonylphenoxy)ethanol
CID 7700
(6aS,11aS)-9-methoxy-10-(3-methyl-2-buten-1-yl)-6H-benzofuro(3,2-c)(1)benzopyran-3,6a(11aH)-diol
CID 126540
Dehydrodiisoeugenol
CID 5379033
Licarin A
CID 5281836
4-(3-(Hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl)-2-methoxyphenol
CID 4365980
(2R,3S)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-5-((1E)-3-hydroxy-1-propen-1-yl)-7-methoxy-3-benzofuranmethanol
CID 11078843
(7S,8R)-Dihydrodehydrodiconiferyl Alcohol
CID 384679
(+)-Dehydrodiconiferyl Alcohol
CID 11824478
Dihydrodehydroconiferyl alcohol, (7R,8S)-(-)-
CID 5274623

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-hydroxyprop-1-enyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol?
The IUPAC name of 2-[5-(3-hydroxyprop-1-enyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol (CID 162946571) is 2-[5-(3-hydroxyprop-1-enyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(3-hydroxyprop-1-enyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-(3-hydroxyprop-1-enyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol is CC(C)(O)C1Cc2cc(C=CCO)ccc2O1.
What is the InChIKey of 2-[5-(3-hydroxyprop-1-enyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol?
The InChIKey is URAVGAVOMPKTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-14(2,16)13-9-11-8-10(4-3-7-15)5-6-12(11)17-13/h3-6,8,13,15-16H,7,9H2,1-2H3.
What are the key properties of 2-[5-(3-hydroxyprop-1-enyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol?
2-[5-(3-hydroxyprop-1-enyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol has a molecular weight of 234.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-hydroxyprop-1-enyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol is sourced from PubChem (CID 162946571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).