4-(2-phenyl-3,4-dihydro-2H-chromen-3-yl)phenol

C21H18O2 — CID 174419462

IUPAC4-(2-phenyl-3,4-dihydro-2H-chromen-3-yl)phenol
SMILESOc1ccc(C2Cc3ccccc3OC2c2ccccc2)cc1
InChIInChI=1S/C21H18O2/c22-18-12-10-15(11-13-18)19-14-17-8-4-5-9-20(17)23-21(19)16-6-2-1-3-7-16/h1-13,19,21-22H,14H2
InChIKeyCSFWWUHCVQNROX-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.85
Rot. Bonds2

About 4-(2-phenyl-3,4-dihydro-2H-chromen-3-yl)phenol

4-(2-phenyl-3,4-dihydro-2H-chromen-3-yl)phenol (PubChem CID 174419462) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-(2-phenyl-3,4-dihydro-2H-chromen-3-yl)phenol.

Molecular Properties

Compound Name4-(2-phenyl-3,4-dihydro-2H-chromen-3-yl)phenol
PubChem CID174419462
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name4-(2-phenyl-3,4-dihydro-2H-chromen-3-yl)phenol
SMILESOc1ccc(C2Cc3ccccc3OC2c2ccccc2)cc1
InChIInChI=1S/C21H18O2/c22-18-12-10-15(11-13-18)19-14-17-8-4-5-9-20(17)23-21(19)16-6-2-1-3-7-16/h1-13,19,21-22H,14H2
InChIKeyCSFWWUHCVQNROX-UHFFFAOYSA-N
XLogP4.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-3,4-dihydro-2H-chromen-3-yl)phenol?
The IUPAC name of 4-(2-phenyl-3,4-dihydro-2H-chromen-3-yl)phenol (CID 174419462) is 4-(2-phenyl-3,4-dihydro-2H-chromen-3-yl)phenol.
What is the SMILES notation for 4-(2-phenyl-3,4-dihydro-2H-chromen-3-yl)phenol?
The canonical SMILES for 4-(2-phenyl-3,4-dihydro-2H-chromen-3-yl)phenol is Oc1ccc(C2Cc3ccccc3OC2c2ccccc2)cc1.
What is the InChIKey of 4-(2-phenyl-3,4-dihydro-2H-chromen-3-yl)phenol?
The InChIKey is CSFWWUHCVQNROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c22-18-12-10-15(11-13-18)19-14-17-8-4-5-9-20(17)23-21(19)16-6-2-1-3-7-16/h1-13,19,21-22H,14H2.
What are the key properties of 4-(2-phenyl-3,4-dihydro-2H-chromen-3-yl)phenol?
4-(2-phenyl-3,4-dihydro-2H-chromen-3-yl)phenol has a molecular weight of 302.37 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-3,4-dihydro-2H-chromen-3-yl)phenol is sourced from PubChem (CID 174419462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).