2-chloro-5,9a-dimethyl-1,9-dihydroxanthene

C15H15ClO — CID 71399659

IUPAC2-chloro-5,9a-dimethyl-1,9-dihydroxanthene
SMILESCc1cccc2c1OC1=CC=C(Cl)CC1(C)C2
InChIInChI=1S/C15H15ClO/c1-10-4-3-5-11-8-15(2)9-12(16)6-7-13(15)17-14(10)11/h3-7H,8-9H2,1-2H3
InChIKeyCISQBECWHBGYCM-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.35
Rot. Bonds

About 2-chloro-5,9a-dimethyl-1,9-dihydroxanthene

2-chloro-5,9a-dimethyl-1,9-dihydroxanthene (PubChem CID 71399659) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-chloro-5,9a-dimethyl-1,9-dihydroxanthene.

Molecular Properties

Compound Name2-chloro-5,9a-dimethyl-1,9-dihydroxanthene
PubChem CID71399659
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name2-chloro-5,9a-dimethyl-1,9-dihydroxanthene
SMILESCc1cccc2c1OC1=CC=C(Cl)CC1(C)C2
InChIInChI=1S/C15H15ClO/c1-10-4-3-5-11-8-15(2)9-12(16)6-7-13(15)17-14(10)11/h3-7H,8-9H2,1-2H3
InChIKeyCISQBECWHBGYCM-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
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4,5-dimethyl-2,9-dihydro-1H-xanthene
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3,3,6-trimethyl-2,4-dihydro-1,5-benzodioxepine
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,9a-dimethyl-1,9-dihydroxanthene?
The IUPAC name of 2-chloro-5,9a-dimethyl-1,9-dihydroxanthene (CID 71399659) is 2-chloro-5,9a-dimethyl-1,9-dihydroxanthene.
What is the SMILES notation for 2-chloro-5,9a-dimethyl-1,9-dihydroxanthene?
The canonical SMILES for 2-chloro-5,9a-dimethyl-1,9-dihydroxanthene is Cc1cccc2c1OC1=CC=C(Cl)CC1(C)C2.
What is the InChIKey of 2-chloro-5,9a-dimethyl-1,9-dihydroxanthene?
The InChIKey is CISQBECWHBGYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c1-10-4-3-5-11-8-15(2)9-12(16)6-7-13(15)17-14(10)11/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-chloro-5,9a-dimethyl-1,9-dihydroxanthene?
2-chloro-5,9a-dimethyl-1,9-dihydroxanthene has a molecular weight of 246.74 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,9a-dimethyl-1,9-dihydroxanthene is sourced from PubChem (CID 71399659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).