4,4-dimethyl-2-phenylbenzo[g]chromene

C21H18O — CID 101100623

IUPAC4,4-dimethyl-2-phenylbenzo[g]chromene
SMILESCC1(C)C=C(c2ccccc2)Oc2cc3ccccc3cc21
InChIInChI=1S/C21H18O/c1-21(2)14-20(15-8-4-3-5-9-15)22-19-13-17-11-7-6-10-16(17)12-18(19)21/h3-14H,1-2H3
InChIKeyXASVBKVJUICXSR-UHFFFAOYSA-N
MW286.37 g/mol
LogP5.55
Rot. Bonds1

About 4,4-dimethyl-2-phenylbenzo[g]chromene

4,4-dimethyl-2-phenylbenzo[g]chromene (PubChem CID 101100623) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is 4,4-dimethyl-2-phenylbenzo[g]chromene.

Molecular Properties

Compound Name4,4-dimethyl-2-phenylbenzo[g]chromene
PubChem CID101100623
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name4,4-dimethyl-2-phenylbenzo[g]chromene
SMILESCC1(C)C=C(c2ccccc2)Oc2cc3ccccc3cc21
InChIInChI=1S/C21H18O/c1-21(2)14-20(15-8-4-3-5-9-15)22-19-13-17-11-7-6-10-16(17)12-18(19)21/h3-14H,1-2H3
InChIKeyXASVBKVJUICXSR-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene]
CID 170020436
2,4-diphenyl-6-[3-(3-spiro[benzo[b]xanthene-12,9'-fluorene]-3-ylphenyl)phenyl]-1,3,5-triazine
CID 155054955
N,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline
CID 172539697
2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene
CID 70935966
2,4-diphenyl-6-spiro[benzo[b]xanthene-12,9'-fluorene]-9-yl-1,3,5-triazine
CID 163941114
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
6,6-dimethylnaphtho[2,3-c]chromene
CID 59403858
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane
CID 91266782
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;naphthalene
CID 158911648
bis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene
CID 158732908
N,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline
CID 172539696
2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163787598

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-phenylbenzo[g]chromene?
The IUPAC name of 4,4-dimethyl-2-phenylbenzo[g]chromene (CID 101100623) is 4,4-dimethyl-2-phenylbenzo[g]chromene.
What is the SMILES notation for 4,4-dimethyl-2-phenylbenzo[g]chromene?
The canonical SMILES for 4,4-dimethyl-2-phenylbenzo[g]chromene is CC1(C)C=C(c2ccccc2)Oc2cc3ccccc3cc21.
What is the InChIKey of 4,4-dimethyl-2-phenylbenzo[g]chromene?
The InChIKey is XASVBKVJUICXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O/c1-21(2)14-20(15-8-4-3-5-9-15)22-19-13-17-11-7-6-10-16(17)12-18(19)21/h3-14H,1-2H3.
What are the key properties of 4,4-dimethyl-2-phenylbenzo[g]chromene?
4,4-dimethyl-2-phenylbenzo[g]chromene has a molecular weight of 286.37 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-phenylbenzo[g]chromene is sourced from PubChem (CID 101100623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).