(2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol

C14H18O3 — CID 571097

IUPAC(2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol
SMILESC=CCC1COC(c2ccccc2)OC1CO
InChIInChI=1S/C14H18O3/c1-2-6-12-10-16-14(17-13(12)9-15)11-7-4-3-5-8-11/h2-5,7-8,12-15H,1,6,9-10H2
InChIKeyJQFDEOHWUNUSCU-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.29
Rot. Bonds4

About (2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol

(2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol (PubChem CID 571097) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol.

Molecular Properties

Compound Name(2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol
PubChem CID571097
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol
SMILESC=CCC1COC(c2ccccc2)OC1CO
InChIInChI=1S/C14H18O3/c1-2-6-12-10-16-14(17-13(12)9-15)11-7-4-3-5-8-11/h2-5,7-8,12-15H,1,6,9-10H2
InChIKeyJQFDEOHWUNUSCU-UHFFFAOYSA-N
XLogP2.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.29
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-prop-2-enyloxetan-2-yl)methanol
CID 69422031
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056
[4-(hydroxymethyl)-2-naphthalen-2-yl-1,3-dioxan-5-yl]methanol
CID 152518072
(4-ethenyl-5-phenyloxolan-3-yl)methanol
CID 101456903
(2S,4aR,6R,8S,8aS)-2-phenyl-6-prop-2-enyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 11391740
(2R,4aR,6R,7R,8aS)-7-ethenoxy-2-phenyl-6-prop-2-enyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
CID 16724445
[(2S,4R,5R)-5-methyl-2-phenyl-4-prop-2-enyl-1,3-dioxan-5-yl]methanol
CID 11470665
[(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol
CID 102054254
[(2R,4R,5R)-5-[(2S,4R,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 34174718
[(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol
CID 11221635
2-phenyl-1,3-dioxolan-4-ol
CID 23288237

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol?
The IUPAC name of (2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol (CID 571097) is (2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol.
What is the SMILES notation for (2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol?
The canonical SMILES for (2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol is C=CCC1COC(c2ccccc2)OC1CO.
What is the InChIKey of (2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol?
The InChIKey is JQFDEOHWUNUSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-6-12-10-16-14(17-13(12)9-15)11-7-4-3-5-8-11/h2-5,7-8,12-15H,1,6,9-10H2.
What are the key properties of (2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol?
(2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol has a molecular weight of 234.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol is sourced from PubChem (CID 571097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).