2-methylpropane;9-phenyl-9H-xanthene

C23H24O — CID 158880886

IUPAC2-methylpropane;9-phenyl-9H-xanthene
SMILESCC(C)C.c1ccc(C2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C19H14O.C4H10/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19;1-4(2)3/h1-13,19H;4H,1-3H3
InChIKeyJDABMJUFDZMJEB-UHFFFAOYSA-N
MW316.44 g/mol
LogP6.63
Rot. Bonds1

About 2-methylpropane;9-phenyl-9H-xanthene

2-methylpropane;9-phenyl-9H-xanthene (PubChem CID 158880886) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-methylpropane;9-phenyl-9H-xanthene.

Molecular Properties

Compound Name2-methylpropane;9-phenyl-9H-xanthene
PubChem CID158880886
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name2-methylpropane;9-phenyl-9H-xanthene
SMILESCC(C)C.c1ccc(C2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C19H14O.C4H10/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19;1-4(2)3/h1-13,19H;4H,1-3H3
InChIKeyJDABMJUFDZMJEB-UHFFFAOYSA-N
XLogP6.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-phenyl-3H-1-benzofuran-2-one
CID 91570069
2,7-dimethyl-9-phenyl-9H-xanthene
CID 22643678
8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 22895103
2,3-bis(ethenyl)-4-phenyl-4H-chromene
CID 143647805
ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate
CID 40554150
N-propan-2-yl-9H-xanthen-9-amine
CID 43344196
2-methyl-1-(9H-xanthen-9-yl)propan-1-ol
CID 23562247
1-[(4S)-2,4-diphenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine
CID 7047438
2,6-ditert-butyl-4-(9H-xanthen-9-yl)phenol
CID 139095938
(3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one
CID 99644827
9-phenyl-9H-fluorene
CID 13091
3-chloro-4-methylidene-2-(4-methylphenyl)-5-phenyl-5H-1-benzoxepine
CID 3815652

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;9-phenyl-9H-xanthene?
The IUPAC name of 2-methylpropane;9-phenyl-9H-xanthene (CID 158880886) is 2-methylpropane;9-phenyl-9H-xanthene.
What is the SMILES notation for 2-methylpropane;9-phenyl-9H-xanthene?
The canonical SMILES for 2-methylpropane;9-phenyl-9H-xanthene is CC(C)C.c1ccc(C2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 2-methylpropane;9-phenyl-9H-xanthene?
The InChIKey is JDABMJUFDZMJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O.C4H10/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19;1-4(2)3/h1-13,19H;4H,1-3H3.
What are the key properties of 2-methylpropane;9-phenyl-9H-xanthene?
2-methylpropane;9-phenyl-9H-xanthene has a molecular weight of 316.44 g/mol, XLogP of 6.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;9-phenyl-9H-xanthene is sourced from PubChem (CID 158880886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).