8-(1-adamantyl)-6-tert-butyl-3,4-dihydro-2H-chromen-2-ol

C23H32O2 — CID 146020979

IUPAC8-(1-adamantyl)-6-tert-butyl-3,4-dihydro-2H-chromen-2-ol
SMILESCC(C)(C)c1cc2c(c(C34CC5CC(CC(C5)C3)C4)c1)OC(O)CC2
InChIInChI=1S/C23H32O2/c1-22(2,3)18-9-17-4-5-20(24)25-21(17)19(10-18)23-11-14-6-15(12-23)8-16(7-14)13-23/h9-10,14-16,20,24H,4-8,11-13H2,1-3H3
InChIKeyNYWIUBPPNYGLSG-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.10
Rot. Bonds1

About 8-(1-adamantyl)-6-tert-butyl-3,4-dihydro-2H-chromen-2-ol

8-(1-adamantyl)-6-tert-butyl-3,4-dihydro-2H-chromen-2-ol (PubChem CID 146020979) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 8-(1-adamantyl)-6-tert-butyl-3,4-dihydro-2H-chromen-2-ol.

Molecular Properties

Compound Name8-(1-adamantyl)-6-tert-butyl-3,4-dihydro-2H-chromen-2-ol
PubChem CID146020979
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name8-(1-adamantyl)-6-tert-butyl-3,4-dihydro-2H-chromen-2-ol
SMILESCC(C)(C)c1cc2c(c(C34CC5CC(CC(C5)C3)C4)c1)OC(O)CC2
InChIInChI=1S/C23H32O2/c1-22(2,3)18-9-17-4-5-20(24)25-21(17)19(10-18)23-11-14-6-15(12-23)8-16(7-14)13-23/h9-10,14-16,20,24H,4-8,11-13H2,1-3H3
InChIKeyNYWIUBPPNYGLSG-UHFFFAOYSA-N
XLogP5.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[8-(1-adamantyl)-6-tert-butyl-4H-chromen-3-yl]-2,2,2-trifluoroethanone
CID 166643300
5-(1-adamantyl)-7-tert-butyl-3,3-dimethoxy-1-(trifluoromethyl)-3a,9-dihydrofuro[3,4-b]chromene
CID 166643312
2,3,4-tris(1-adamantyl)-6-tert-butylphenol
CID 87124943
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-[tert-butyl(dimethyl)silyl]-2-pyridinyl]phenyl]-4-tert-butylphenol;zirconium
CID 176878364
2,4,5-tris(1-adamantyl)benzene-1,3-diol
CID 87124845
2,6-bis(1-adamantyl)-4-methylphenol
CID 4686402
6,13,20,27-tetratert-butylpentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(28),4,6,8(32),11,13,15(31),18(30),19,21,25(29),26-dodecaene-29,30,31,32-tetrol
CID 12707932
2-(1-adamantylamino)-4,6-ditert-butylphenol
CID 102496107
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-ethoxy-2-pyridinyl]phenyl]-4-tert-butylphenol;zirconium
CID 176878378
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-butyl-2-pyridinyl]phenyl]-4-tert-butylphenol
CID 176718289
5-tert-butyl-5'-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one
CID 170132557
2-(1-adamantyl)-4-tert-butyl-6-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol
CID 135466375

Frequently Asked Questions

What is the IUPAC name of 8-(1-adamantyl)-6-tert-butyl-3,4-dihydro-2H-chromen-2-ol?
The IUPAC name of 8-(1-adamantyl)-6-tert-butyl-3,4-dihydro-2H-chromen-2-ol (CID 146020979) is 8-(1-adamantyl)-6-tert-butyl-3,4-dihydro-2H-chromen-2-ol.
What is the SMILES notation for 8-(1-adamantyl)-6-tert-butyl-3,4-dihydro-2H-chromen-2-ol?
The canonical SMILES for 8-(1-adamantyl)-6-tert-butyl-3,4-dihydro-2H-chromen-2-ol is CC(C)(C)c1cc2c(c(C34CC5CC(CC(C5)C3)C4)c1)OC(O)CC2.
What is the InChIKey of 8-(1-adamantyl)-6-tert-butyl-3,4-dihydro-2H-chromen-2-ol?
The InChIKey is NYWIUBPPNYGLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-22(2,3)18-9-17-4-5-20(24)25-21(17)19(10-18)23-11-14-6-15(12-23)8-16(7-14)13-23/h9-10,14-16,20,24H,4-8,11-13H2,1-3H3.
What are the key properties of 8-(1-adamantyl)-6-tert-butyl-3,4-dihydro-2H-chromen-2-ol?
8-(1-adamantyl)-6-tert-butyl-3,4-dihydro-2H-chromen-2-ol has a molecular weight of 340.51 g/mol, XLogP of 5.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-adamantyl)-6-tert-butyl-3,4-dihydro-2H-chromen-2-ol is sourced from PubChem (CID 146020979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).