3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol

C16H16O2 — CID 23766294

IUPAC3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol
SMILESCC(=C(C)c1cccc(O)c1)c1cccc(O)c1
InChIInChI=1S/C16H16O2/c1-11(13-5-3-7-15(17)9-13)12(2)14-6-4-8-16(18)10-14/h3-10,17-18H,1-2H3
InChIKeyLZVBSFWOSQFAFL-UHFFFAOYSA-N
MW240.30 g/mol
LogP4.05
Rot. Bonds2

About 3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol

3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol (PubChem CID 23766294) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol.

Molecular Properties

Compound Name3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol
PubChem CID23766294
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol
SMILESCC(=C(C)c1cccc(O)c1)c1cccc(O)c1
InChIInChI=1S/C16H16O2/c1-11(13-5-3-7-15(17)9-13)12(2)14-6-4-8-16(18)10-14/h3-10,17-18H,1-2H3
InChIKeyLZVBSFWOSQFAFL-UHFFFAOYSA-N
XLogP4.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-2-[[(E)-1-carboxy-2-(3-hydroxyphenyl)prop-1-enyl]disulfanyl]-3-(3-hydroxyphenyl)but-2-enoic acid
CID 3003829
1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606
acetic acid;3-prop-1-en-2-ylphenol
CID 71365863
N-acetyl-3-hydroxybenzamide
CID 130011909
3-[(E)-2-(3-hydroxyphenyl)-1,2-bis(4-methylphenyl)ethenyl]phenol
CID 71093796
CID 174830791
CID 174830791
CID 66671873
CID 66671873
3-hydroxybenzoic acid;hydrochloride
CID 118389750
3-[3-(3-carboxyphenyl)but-2-en-2-yl]benzoic acid
CID 123649222
bis(benzene-1,3-diol);hydrate
CID 174320343
bis(benzene-1,3-diol);methane
CID 70633400
benzene-1,3-diol;tris(yttrium)
CID 23386139

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol?
The IUPAC name of 3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol (CID 23766294) is 3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol.
What is the SMILES notation for 3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol?
The canonical SMILES for 3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol is CC(=C(C)c1cccc(O)c1)c1cccc(O)c1.
What is the InChIKey of 3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol?
The InChIKey is LZVBSFWOSQFAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11(13-5-3-7-15(17)9-13)12(2)14-6-4-8-16(18)10-14/h3-10,17-18H,1-2H3.
What are the key properties of 3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol?
3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol has a molecular weight of 240.30 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol is sourced from PubChem (CID 23766294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).