4-(7-methyl-3-phenyl-2H-chromen-4-yl)phenol

C22H18O2 — CID 159502162

IUPAC4-(7-methyl-3-phenyl-2H-chromen-4-yl)phenol
SMILESCc1ccc2c(c1)OCC(c1ccccc1)=C2c1ccc(O)cc1
InChIInChI=1S/C22H18O2/c1-15-7-12-19-21(13-15)24-14-20(16-5-3-2-4-6-16)22(19)17-8-10-18(23)11-9-17/h2-13,23H,14H2,1H3
InChIKeyUXVNINOXLPCPOQ-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.05
Rot. Bonds2

About 4-(7-methyl-3-phenyl-2H-chromen-4-yl)phenol

4-(7-methyl-3-phenyl-2H-chromen-4-yl)phenol (PubChem CID 159502162) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-(7-methyl-3-phenyl-2H-chromen-4-yl)phenol.

Molecular Properties

Compound Name4-(7-methyl-3-phenyl-2H-chromen-4-yl)phenol
PubChem CID159502162
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name4-(7-methyl-3-phenyl-2H-chromen-4-yl)phenol
SMILESCc1ccc2c(c1)OCC(c1ccccc1)=C2c1ccc(O)cc1
InChIInChI=1S/C22H18O2/c1-15-7-12-19-21(13-15)24-14-20(16-5-3-2-4-6-16)22(19)17-8-10-18(23)11-9-17/h2-13,23H,14H2,1H3
InChIKeyUXVNINOXLPCPOQ-UHFFFAOYSA-N
XLogP5.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-3-phenyl-2H-chromen-4-yl)phenol?
The IUPAC name of 4-(7-methyl-3-phenyl-2H-chromen-4-yl)phenol (CID 159502162) is 4-(7-methyl-3-phenyl-2H-chromen-4-yl)phenol.
What is the SMILES notation for 4-(7-methyl-3-phenyl-2H-chromen-4-yl)phenol?
The canonical SMILES for 4-(7-methyl-3-phenyl-2H-chromen-4-yl)phenol is Cc1ccc2c(c1)OCC(c1ccccc1)=C2c1ccc(O)cc1.
What is the InChIKey of 4-(7-methyl-3-phenyl-2H-chromen-4-yl)phenol?
The InChIKey is UXVNINOXLPCPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-15-7-12-19-21(13-15)24-14-20(16-5-3-2-4-6-16)22(19)17-8-10-18(23)11-9-17/h2-13,23H,14H2,1H3.
What are the key properties of 4-(7-methyl-3-phenyl-2H-chromen-4-yl)phenol?
4-(7-methyl-3-phenyl-2H-chromen-4-yl)phenol has a molecular weight of 314.38 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-3-phenyl-2H-chromen-4-yl)phenol is sourced from PubChem (CID 159502162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).