2-tert-butyl-5,6-dimethyl-2-phenylbenzo[h]chromene

C25H26O — CID 139840447

IUPAC2-tert-butyl-5,6-dimethyl-2-phenylbenzo[h]chromene
SMILESCc1c2c(c3ccccc3c1C)OC(c1ccccc1)(C(C)(C)C)C=C2
InChIInChI=1S/C25H26O/c1-17-18(2)21-15-16-25(24(3,4)5,19-11-7-6-8-12-19)26-23(21)22-14-10-9-13-20(17)22/h6-16H,1-5H3
InChIKeyTUDHCAQOSBIGAU-UHFFFAOYSA-N
MW342.48 g/mol
LogP6.80
Rot. Bonds1

About 2-tert-butyl-5,6-dimethyl-2-phenylbenzo[h]chromene

2-tert-butyl-5,6-dimethyl-2-phenylbenzo[h]chromene (PubChem CID 139840447) has the molecular formula C25H26O and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-tert-butyl-5,6-dimethyl-2-phenylbenzo[h]chromene.

Molecular Properties

Compound Name2-tert-butyl-5,6-dimethyl-2-phenylbenzo[h]chromene
PubChem CID139840447
Molecular FormulaC25H26O
Molecular Weight342.48 g/mol
Exact Mass342.20
IUPAC Name2-tert-butyl-5,6-dimethyl-2-phenylbenzo[h]chromene
SMILESCc1c2c(c3ccccc3c1C)OC(c1ccccc1)(C(C)(C)C)C=C2
InChIInChI=1S/C25H26O/c1-17-18(2)21-15-16-25(24(3,4)5,19-11-7-6-8-12-19)26-23(21)22-14-10-9-13-20(17)22/h6-16H,1-5H3
InChIKeyTUDHCAQOSBIGAU-UHFFFAOYSA-N
XLogP6.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,5,6-tetramethylbenzo[h]chromene
CID 21339666
5-methyl-2,2-diphenylbenzo[h]chromene
CID 23371123
2,2,5-triphenylbenzo[h]chromene
CID 13007765
ethyl 2,2,5-triphenylbenzo[h]chromene-6-carboxylate
CID 18316931
methyl 6-(2-methylpropanoyloxy)-2,2-diphenylbenzo[h]chromene-5-carboxylate
CID 18916132
ethane;5-methyl-6-[(4-methylphenyl)methyl]-3,3-diphenylbenzo[f]chromene
CID 123566536
3-methyl-3-phenylbenzo[f]chromene
CID 10849806
2,2-dimethyl-5,6,7,8-tetrahydrophenanthro[9,10-b]pyran
CID 21339668
methyl 11-methyl-3,3-diphenylnaphtho[1,2-h]chromene-12-carboxylate
CID 22412475
6,6-dimethyl-7-oxapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),3(8),4,9,11,13-hexaene
CID 22970322
methyl 6-acetyloxy-2,2-diphenylbenzo[h]chromene-5-carboxylate
CID 15332725
5,5-bis(4-methylphenyl)-1',1'-diphenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,4'-cyclohexane]
CID 122674494

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,6-dimethyl-2-phenylbenzo[h]chromene?
The IUPAC name of 2-tert-butyl-5,6-dimethyl-2-phenylbenzo[h]chromene (CID 139840447) is 2-tert-butyl-5,6-dimethyl-2-phenylbenzo[h]chromene.
What is the SMILES notation for 2-tert-butyl-5,6-dimethyl-2-phenylbenzo[h]chromene?
The canonical SMILES for 2-tert-butyl-5,6-dimethyl-2-phenylbenzo[h]chromene is Cc1c2c(c3ccccc3c1C)OC(c1ccccc1)(C(C)(C)C)C=C2.
What is the InChIKey of 2-tert-butyl-5,6-dimethyl-2-phenylbenzo[h]chromene?
The InChIKey is TUDHCAQOSBIGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O/c1-17-18(2)21-15-16-25(24(3,4)5,19-11-7-6-8-12-19)26-23(21)22-14-10-9-13-20(17)22/h6-16H,1-5H3.
What are the key properties of 2-tert-butyl-5,6-dimethyl-2-phenylbenzo[h]chromene?
2-tert-butyl-5,6-dimethyl-2-phenylbenzo[h]chromene has a molecular weight of 342.48 g/mol, XLogP of 6.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,6-dimethyl-2-phenylbenzo[h]chromene is sourced from PubChem (CID 139840447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).