2-chloro-6-methyl-9H-xanthene

C14H11ClO — CID 147393340

IUPAC2-chloro-6-methyl-9H-xanthene
SMILESCc1ccc2c(c1)Oc1ccc(Cl)cc1C2
InChIInChI=1S/C14H11ClO/c1-9-2-3-10-7-11-8-12(15)4-5-13(11)16-14(10)6-9/h2-6,8H,7H2,1H3
InChIKeyDNHXPHXYFLCYKX-UHFFFAOYSA-N
MW230.69 g/mol
LogP4.34
Rot. Bonds

About 2-chloro-6-methyl-9H-xanthene

2-chloro-6-methyl-9H-xanthene (PubChem CID 147393340) has the molecular formula C14H11ClO and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-chloro-6-methyl-9H-xanthene.

Molecular Properties

Compound Name2-chloro-6-methyl-9H-xanthene
PubChem CID147393340
Molecular FormulaC14H11ClO
Molecular Weight230.69 g/mol
Exact Mass230.05
IUPAC Name2-chloro-6-methyl-9H-xanthene
SMILESCc1ccc2c(c1)Oc1ccc(Cl)cc1C2
InChIInChI=1S/C14H11ClO/c1-9-2-3-10-7-11-8-12(15)4-5-13(11)16-14(10)6-9/h2-6,8H,7H2,1H3
InChIKeyDNHXPHXYFLCYKX-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-9H-xanthene?
The IUPAC name of 2-chloro-6-methyl-9H-xanthene (CID 147393340) is 2-chloro-6-methyl-9H-xanthene.
What is the SMILES notation for 2-chloro-6-methyl-9H-xanthene?
The canonical SMILES for 2-chloro-6-methyl-9H-xanthene is Cc1ccc2c(c1)Oc1ccc(Cl)cc1C2.
What is the InChIKey of 2-chloro-6-methyl-9H-xanthene?
The InChIKey is DNHXPHXYFLCYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO/c1-9-2-3-10-7-11-8-12(15)4-5-13(11)16-14(10)6-9/h2-6,8H,7H2,1H3.
What are the key properties of 2-chloro-6-methyl-9H-xanthene?
2-chloro-6-methyl-9H-xanthene has a molecular weight of 230.69 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-9H-xanthene is sourced from PubChem (CID 147393340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).