4-[2-[2-(4-propylphenyl)-1H-inden-5-yl]ethyl]phenol

C26H26O — CID 131983294

IUPAC4-[2-[2-(4-propylphenyl)-1H-inden-5-yl]ethyl]phenol
SMILESCCCc1ccc(C2=Cc3cc(CCc4ccc(O)cc4)ccc3C2)cc1
InChIInChI=1S/C26H26O/c1-2-3-19-6-11-22(12-7-19)25-17-23-13-8-21(16-24(23)18-25)5-4-20-9-14-26(27)15-10-20/h6-16,18,27H,2-5,17H2,1H3
InChIKeyKZUNHTIYOOPLGF-UHFFFAOYSA-N
MW354.49 g/mol
LogP6.23
Rot. Bonds6

About 4-[2-[2-(4-propylphenyl)-1H-inden-5-yl]ethyl]phenol

4-[2-[2-(4-propylphenyl)-1H-inden-5-yl]ethyl]phenol (PubChem CID 131983294) has the molecular formula C26H26O and a molecular weight of 354.49 g/mol. Its IUPAC name is 4-[2-[2-(4-propylphenyl)-1H-inden-5-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[2-(4-propylphenyl)-1H-inden-5-yl]ethyl]phenol
PubChem CID131983294
Molecular FormulaC26H26O
Molecular Weight354.49 g/mol
Exact Mass354.20
IUPAC Name4-[2-[2-(4-propylphenyl)-1H-inden-5-yl]ethyl]phenol
SMILESCCCc1ccc(C2=Cc3cc(CCc4ccc(O)cc4)ccc3C2)cc1
InChIInChI=1S/C26H26O/c1-2-3-19-6-11-22(12-7-19)25-17-23-13-8-21(16-24(23)18-25)5-4-20-9-14-26(27)15-10-20/h6-16,18,27H,2-5,17H2,1H3
InChIKeyKZUNHTIYOOPLGF-UHFFFAOYSA-N
XLogP6.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-ethylphenyl)ethyl]-2-(4-propylphenyl)-1H-indene
CID 140812744
5-[2-(4-ethylphenyl)ethyl]-2-(3-propylphenyl)-1H-indene
CID 140812764
4-[3-[4-(4-propylphenyl)phenyl]propyl]phenol
CID 59265255
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 59134563
6-propyl-1H-naphthalen-2-one
CID 141020466
4-(2-fluoro-4-propylphenyl)phenol
CID 139457311
ethane;4-(4-hydroxyphenyl)phenol;propylbenzene
CID 174751919
4-propylphenol;toluene
CID 174488913
2-phenyl-4-(4-propylphenyl)-1H-indene;zirconium
CID 174563339
2-formyloxy-2,2-bis[2-(4-hydroxyphenyl)-1H-inden-5-yl]acetic acid
CID 169306345
3-(4-butylphenyl)-6,7-difluoro-1,2-dihydronaphthalene
CID 139961229

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-propylphenyl)-1H-inden-5-yl]ethyl]phenol?
The IUPAC name of 4-[2-[2-(4-propylphenyl)-1H-inden-5-yl]ethyl]phenol (CID 131983294) is 4-[2-[2-(4-propylphenyl)-1H-inden-5-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[2-(4-propylphenyl)-1H-inden-5-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[2-(4-propylphenyl)-1H-inden-5-yl]ethyl]phenol is CCCc1ccc(C2=Cc3cc(CCc4ccc(O)cc4)ccc3C2)cc1.
What is the InChIKey of 4-[2-[2-(4-propylphenyl)-1H-inden-5-yl]ethyl]phenol?
The InChIKey is KZUNHTIYOOPLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O/c1-2-3-19-6-11-22(12-7-19)25-17-23-13-8-21(16-24(23)18-25)5-4-20-9-14-26(27)15-10-20/h6-16,18,27H,2-5,17H2,1H3.
What are the key properties of 4-[2-[2-(4-propylphenyl)-1H-inden-5-yl]ethyl]phenol?
4-[2-[2-(4-propylphenyl)-1H-inden-5-yl]ethyl]phenol has a molecular weight of 354.49 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-propylphenyl)-1H-inden-5-yl]ethyl]phenol is sourced from PubChem (CID 131983294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).