2-phenylethenol;prop-1-en-2-ylbenzene

C17H18O — CID 162256801

IUPAC2-phenylethenol;prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.OC=Cc1ccccc1
InChIInChI=1S/C9H10.C8H8O/c1-8(2)9-6-4-3-5-7-9;9-7-6-8-4-2-1-3-5-8/h3-7H,1H2,2H3;1-7,9H
InChIKeyZYRWWALARXKSED-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.93
Rot. Bonds2

About 2-phenylethenol;prop-1-en-2-ylbenzene

2-phenylethenol;prop-1-en-2-ylbenzene (PubChem CID 162256801) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-phenylethenol;prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name2-phenylethenol;prop-1-en-2-ylbenzene
PubChem CID162256801
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name2-phenylethenol;prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.OC=Cc1ccccc1
InChIInChI=1S/C9H10.C8H8O/c1-8(2)9-6-4-3-5-7-9;9-7-6-8-4-2-1-3-5-8/h3-7H,1H2,2H3;1-7,9H
InChIKeyZYRWWALARXKSED-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

bis(prop-1-en-2-ylbenzene);styrene
CID 157311042
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
prop-1-en-2-ylbenzene;silane
CID 174724970
dilithium;hydride;tetrakis(prop-1-en-2-ylbenzene)
CID 173210084
ethenamine;prop-1-en-2-ylbenzene
CID 172805831
sodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene
CID 56843857
prop-1-en-2-ylbenzene;1,1,2,2-tetrafluoroethene
CID 161134762
methane;propane;prop-1-en-2-ylbenzene
CID 145329923
ethane;methoxymethane;prop-1-en-2-ylbenzene
CID 160714954
ethane-1,2-diol;prop-1-en-2-ylbenzene
CID 68647860
buta-1,3-diene;2-phenylethenol;styrene
CID 174738694
2-ethenylphenol;2-phenylethenol
CID 67103085

Frequently Asked Questions

What is the IUPAC name of 2-phenylethenol;prop-1-en-2-ylbenzene?
The IUPAC name of 2-phenylethenol;prop-1-en-2-ylbenzene (CID 162256801) is 2-phenylethenol;prop-1-en-2-ylbenzene.
What is the SMILES notation for 2-phenylethenol;prop-1-en-2-ylbenzene?
The canonical SMILES for 2-phenylethenol;prop-1-en-2-ylbenzene is C=C(C)c1ccccc1.OC=Cc1ccccc1.
What is the InChIKey of 2-phenylethenol;prop-1-en-2-ylbenzene?
The InChIKey is ZYRWWALARXKSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C8H8O/c1-8(2)9-6-4-3-5-7-9;9-7-6-8-4-2-1-3-5-8/h3-7H,1H2,2H3;1-7,9H.
What are the key properties of 2-phenylethenol;prop-1-en-2-ylbenzene?
2-phenylethenol;prop-1-en-2-ylbenzene has a molecular weight of 238.33 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethenol;prop-1-en-2-ylbenzene is sourced from PubChem (CID 162256801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).