3-phenylbut-3-en-1-ol

C10H12O — CID 10888068

IUPAC3-phenylbut-3-en-1-ol
SMILESC=C(CCO)c1ccccc1
InChIInChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,11H,1,7-8H2
InChIKeyPZAXWHVVPMHDMR-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.08
Rot. Bonds3

About 3-phenylbut-3-en-1-ol

3-phenylbut-3-en-1-ol (PubChem CID 10888068) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 3-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name3-phenylbut-3-en-1-ol
PubChem CID10888068
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name3-phenylbut-3-en-1-ol
SMILESC=C(CCO)c1ccccc1
InChIInChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,11H,1,7-8H2
InChIKeyPZAXWHVVPMHDMR-UHFFFAOYSA-N
XLogP2.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenylbut-3-en-1-ol?
The IUPAC name of 3-phenylbut-3-en-1-ol (CID 10888068) is 3-phenylbut-3-en-1-ol.
What is the SMILES notation for 3-phenylbut-3-en-1-ol?
The canonical SMILES for 3-phenylbut-3-en-1-ol is C=C(CCO)c1ccccc1.
What is the InChIKey of 3-phenylbut-3-en-1-ol?
The InChIKey is PZAXWHVVPMHDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,11H,1,7-8H2.
What are the key properties of 3-phenylbut-3-en-1-ol?
3-phenylbut-3-en-1-ol has a molecular weight of 148.20 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbut-3-en-1-ol is sourced from PubChem (CID 10888068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).