(6aS,10aR)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-ol

C16H20O2 — CID 10377167

IUPAC(6aS,10aR)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-ol
SMILESCC1=C[C@H]2c3cc(O)ccc3OC(C)(C)[C@H]2CC1
InChIInChI=1S/C16H20O2/c1-10-4-6-14-12(8-10)13-9-11(17)5-7-15(13)18-16(14,2)3/h5,7-9,12,14,17H,4,6H2,1-3H3/t12-,14-/m0/s1
InChIKeyOBJJEVJNCDBGOD-JSGCOSHPSA-N
MW244.33 g/mol
LogP4.00
Rot. Bonds

About (6aS,10aR)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-ol

(6aS,10aR)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-ol (PubChem CID 10377167) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (6aS,10aR)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-ol.

Molecular Properties

Compound Name(6aS,10aR)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-ol
PubChem CID10377167
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(6aS,10aR)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-ol
SMILESCC1=C[C@H]2c3cc(O)ccc3OC(C)(C)[C@H]2CC1
InChIInChI=1S/C16H20O2/c1-10-4-6-14-12(8-10)13-9-11(17)5-7-15(13)18-16(14,2)3/h5,7-9,12,14,17H,4,6H2,1-3H3/t12-,14-/m0/s1
InChIKeyOBJJEVJNCDBGOD-JSGCOSHPSA-N
XLogP4.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (6aS,10aR)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-ol with MolForge

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Related Compounds

5,9,9,17,21,21-hexamethyl-10,22-dioxapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),4,12,16-pentaene
CID 90371823
CID 164541274
CID 164541274
(6aS,10aR)-3-ethyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 163806393
(6aR)-1-hydroxy-3,6,6,9-tetramethyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid
CID 145131186
[(6aS,10aS)-1-hydroxy-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-3-yl] trifluoromethanesulfonate
CID 168916542
(6aS,10aS)-3-hexyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 155318981
3-heptyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 78411013
(6aR)-3-(5-bromopentyl)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 90382188
3-butylsulfanyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 21433402
(6aR,10aR)-6,6,9-trimethyl-3-(5,5,5-trideuteriopentyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 11120702
1-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-propyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-yl]ethanone
CID 159684079
3-(4-hydroxypentyl)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 6453619

Frequently Asked Questions

What is the IUPAC name of (6aS,10aR)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-ol?
The IUPAC name of (6aS,10aR)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-ol (CID 10377167) is (6aS,10aR)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-ol.
What is the SMILES notation for (6aS,10aR)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-ol?
The canonical SMILES for (6aS,10aR)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-ol is CC1=C[C@H]2c3cc(O)ccc3OC(C)(C)[C@H]2CC1.
What is the InChIKey of (6aS,10aR)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-ol?
The InChIKey is OBJJEVJNCDBGOD-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H20O2/c1-10-4-6-14-12(8-10)13-9-11(17)5-7-15(13)18-16(14,2)3/h5,7-9,12,14,17H,4,6H2,1-3H3/t12-,14-/m0/s1.
What are the key properties of (6aS,10aR)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-ol?
(6aS,10aR)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-ol has a molecular weight of 244.33 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,10aR)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-ol is sourced from PubChem (CID 10377167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).