ethane;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol

C21H28O2 — CID 142318370

IUPACethane;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol
SMILESCC.CCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2
InChIInChI=1S/C19H22O2.C2H6/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13;1-2/h7-11,20H,5-6H2,1-4H3;1-2H3
InChIKeyQOBOEOCPDHAVOZ-UHFFFAOYSA-N
MW312.45 g/mol
LogP5.97
Rot. Bonds2

About ethane;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol

ethane;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol (PubChem CID 142318370) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is ethane;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol.

Molecular Properties

Compound Nameethane;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol
PubChem CID142318370
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Nameethane;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol
SMILESCC.CCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2
InChIInChI=1S/C19H22O2.C2H6/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13;1-2/h7-11,20H,5-6H2,1-4H3;1-2H3
InChIKeyQOBOEOCPDHAVOZ-UHFFFAOYSA-N
XLogP5.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.45
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-6,6,9-trimethylbenzo[c]chromen-1-ol;3-ethyl-6,6,9-trimethylbenzo[c]chromen-1-ol;1-methoxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene;3,6,6,9-tetramethylbenzo[c]chromen-1-ol;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol
CID 160916572
6,6,9-trimethylbenzo[c]chromen-1-ol
CID 21423359
(1-hydroxy-6,6,9-trimethyl-3-propylbenzo[c]chromen-2-yl)methanediol
CID 162680211
(6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-yl) acetate
CID 90473109
(6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-yl) pentanoate
CID 118642883
4-(1-hydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromen-4-yl)-6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol
CID 172869964
3-(4-ethoxybutoxy)-6,6,9-trimethylbenzo[c]chromen-1-ol
CID 170365368
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol
CID 157227959
1-hydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene-2-carbaldehyde
CID 166514105
6,6,9-trimethyl-3-pentyl-2-(1H-pyrrol-3-yl)benzo[c]chromen-1-ol
CID 155575166
(6aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;(6aR)-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol
CID 161134668
2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-propylbenzene-1,3-diol
CID 59444390

Frequently Asked Questions

What is the IUPAC name of ethane;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol?
The IUPAC name of ethane;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol (CID 142318370) is ethane;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol.
What is the SMILES notation for ethane;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol?
The canonical SMILES for ethane;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol is CC.CCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2.
What is the InChIKey of ethane;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol?
The InChIKey is QOBOEOCPDHAVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2.C2H6/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13;1-2/h7-11,20H,5-6H2,1-4H3;1-2H3.
What are the key properties of ethane;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol?
ethane;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol has a molecular weight of 312.45 g/mol, XLogP of 5.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol is sourced from PubChem (CID 142318370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).