2-benzyl-1-chloro-9H-xanthene

C20H15ClO — CID 175366576

IUPAC2-benzyl-1-chloro-9H-xanthene
SMILESClc1c(Cc2ccccc2)ccc2c1Cc1ccccc1O2
InChIInChI=1S/C20H15ClO/c21-20-16(12-14-6-2-1-3-7-14)10-11-19-17(20)13-15-8-4-5-9-18(15)22-19/h1-11H,12-13H2
InChIKeyIIJVKLWRUKHJAI-UHFFFAOYSA-N
MW306.79 g/mol
LogP5.63
Rot. Bonds2

About 2-benzyl-1-chloro-9H-xanthene

2-benzyl-1-chloro-9H-xanthene (PubChem CID 175366576) has the molecular formula C20H15ClO and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-benzyl-1-chloro-9H-xanthene.

Molecular Properties

Compound Name2-benzyl-1-chloro-9H-xanthene
PubChem CID175366576
Molecular FormulaC20H15ClO
Molecular Weight306.79 g/mol
Exact Mass306.08
IUPAC Name2-benzyl-1-chloro-9H-xanthene
SMILESClc1c(Cc2ccccc2)ccc2c1Cc1ccccc1O2
InChIInChI=1S/C20H15ClO/c21-20-16(12-14-6-2-1-3-7-14)10-11-19-17(20)13-15-8-4-5-9-18(15)22-19/h1-11H,12-13H2
InChIKeyIIJVKLWRUKHJAI-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.79
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-chloro-9H-xanthene?
The IUPAC name of 2-benzyl-1-chloro-9H-xanthene (CID 175366576) is 2-benzyl-1-chloro-9H-xanthene.
What is the SMILES notation for 2-benzyl-1-chloro-9H-xanthene?
The canonical SMILES for 2-benzyl-1-chloro-9H-xanthene is Clc1c(Cc2ccccc2)ccc2c1Cc1ccccc1O2.
What is the InChIKey of 2-benzyl-1-chloro-9H-xanthene?
The InChIKey is IIJVKLWRUKHJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClO/c21-20-16(12-14-6-2-1-3-7-14)10-11-19-17(20)13-15-8-4-5-9-18(15)22-19/h1-11H,12-13H2.
What are the key properties of 2-benzyl-1-chloro-9H-xanthene?
2-benzyl-1-chloro-9H-xanthene has a molecular weight of 306.79 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-chloro-9H-xanthene is sourced from PubChem (CID 175366576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).