4-(4-prop-1-en-2-ylphenyl)butane-1,2-diol

C13H18O2 — CID 139983559

IUPAC4-(4-prop-1-en-2-ylphenyl)butane-1,2-diol
SMILESC=C(C)c1ccc(CCC(O)CO)cc1
InChIInChI=1S/C13H18O2/c1-10(2)12-6-3-11(4-7-12)5-8-13(15)9-14/h3-4,6-7,13-15H,1,5,8-9H2,2H3
InChIKeyZGOSOOBGJGIICE-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.01
Rot. Bonds5

About 4-(4-prop-1-en-2-ylphenyl)butane-1,2-diol

4-(4-prop-1-en-2-ylphenyl)butane-1,2-diol (PubChem CID 139983559) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-(4-prop-1-en-2-ylphenyl)butane-1,2-diol.

Molecular Properties

Compound Name4-(4-prop-1-en-2-ylphenyl)butane-1,2-diol
PubChem CID139983559
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name4-(4-prop-1-en-2-ylphenyl)butane-1,2-diol
SMILESC=C(C)c1ccc(CCC(O)CO)cc1
InChIInChI=1S/C13H18O2/c1-10(2)12-6-3-11(4-7-12)5-8-13(15)9-14/h3-4,6-7,13-15H,1,5,8-9H2,2H3
InChIKeyZGOSOOBGJGIICE-UHFFFAOYSA-N
XLogP2.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-prop-1-en-2-ylphenyl)butane-1,2-diol?
The IUPAC name of 4-(4-prop-1-en-2-ylphenyl)butane-1,2-diol (CID 139983559) is 4-(4-prop-1-en-2-ylphenyl)butane-1,2-diol.
What is the SMILES notation for 4-(4-prop-1-en-2-ylphenyl)butane-1,2-diol?
The canonical SMILES for 4-(4-prop-1-en-2-ylphenyl)butane-1,2-diol is C=C(C)c1ccc(CCC(O)CO)cc1.
What is the InChIKey of 4-(4-prop-1-en-2-ylphenyl)butane-1,2-diol?
The InChIKey is ZGOSOOBGJGIICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(2)12-6-3-11(4-7-12)5-8-13(15)9-14/h3-4,6-7,13-15H,1,5,8-9H2,2H3.
What are the key properties of 4-(4-prop-1-en-2-ylphenyl)butane-1,2-diol?
4-(4-prop-1-en-2-ylphenyl)butane-1,2-diol has a molecular weight of 206.28 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-prop-1-en-2-ylphenyl)butane-1,2-diol is sourced from PubChem (CID 139983559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).