4-[1,3-dihydroinden-2-ylidene-(4-hydroxyphenyl)methyl]phenol

C22H18O2 — CID 123133795

IUPAC4-[1,3-dihydroinden-2-ylidene-(4-hydroxyphenyl)methyl]phenol
SMILESOc1ccc(C(=C2Cc3ccccc3C2)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H18O2/c23-20-9-5-15(6-10-20)22(16-7-11-21(24)12-8-16)19-13-17-3-1-2-4-18(17)14-19/h1-12,23-24H,13-14H2
InChIKeyGYIQBNATKDEJGJ-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.70
Rot. Bonds2

About 4-[1,3-dihydroinden-2-ylidene-(4-hydroxyphenyl)methyl]phenol

4-[1,3-dihydroinden-2-ylidene-(4-hydroxyphenyl)methyl]phenol (PubChem CID 123133795) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-[1,3-dihydroinden-2-ylidene-(4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[1,3-dihydroinden-2-ylidene-(4-hydroxyphenyl)methyl]phenol
PubChem CID123133795
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name4-[1,3-dihydroinden-2-ylidene-(4-hydroxyphenyl)methyl]phenol
SMILESOc1ccc(C(=C2Cc3ccccc3C2)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H18O2/c23-20-9-5-15(6-10-20)22(16-7-11-21(24)12-8-16)19-13-17-3-1-2-4-18(17)14-19/h1-12,23-24H,13-14H2
InChIKeyGYIQBNATKDEJGJ-UHFFFAOYSA-N
XLogP4.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1,3-dihydroinden-2-ylidene-(4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 4-[1,3-dihydroinden-2-ylidene-(4-hydroxyphenyl)methyl]phenol (CID 123133795) is 4-[1,3-dihydroinden-2-ylidene-(4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 4-[1,3-dihydroinden-2-ylidene-(4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 4-[1,3-dihydroinden-2-ylidene-(4-hydroxyphenyl)methyl]phenol is Oc1ccc(C(=C2Cc3ccccc3C2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1,3-dihydroinden-2-ylidene-(4-hydroxyphenyl)methyl]phenol?
The InChIKey is GYIQBNATKDEJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c23-20-9-5-15(6-10-20)22(16-7-11-21(24)12-8-16)19-13-17-3-1-2-4-18(17)14-19/h1-12,23-24H,13-14H2.
What are the key properties of 4-[1,3-dihydroinden-2-ylidene-(4-hydroxyphenyl)methyl]phenol?
4-[1,3-dihydroinden-2-ylidene-(4-hydroxyphenyl)methyl]phenol has a molecular weight of 314.38 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,3-dihydroinden-2-ylidene-(4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 123133795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).