(6aR,10aR)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-ol

C16H20O2 — CID 11218778

IUPAC(6aR,10aR)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-ol
SMILESCC1=CC[C@@H]2[C@@H](C1)c1ccc(O)cc1OC2(C)C
InChIInChI=1S/C16H20O2/c1-10-4-7-14-13(8-10)12-6-5-11(17)9-15(12)18-16(14,2)3/h4-6,9,13-14,17H,7-8H2,1-3H3/t13-,14+/m0/s1
InChIKeyDXDRGIVLXHOGHC-UONOGXRCSA-N
MW244.33 g/mol
LogP4.00
Rot. Bonds

About (6aR,10aR)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-ol

(6aR,10aR)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-ol (PubChem CID 11218778) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (6aR,10aR)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-ol.

Molecular Properties

Compound Name(6aR,10aR)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-ol
PubChem CID11218778
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(6aR,10aR)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-ol
SMILESCC1=CC[C@@H]2[C@@H](C1)c1ccc(O)cc1OC2(C)C
InChIInChI=1S/C16H20O2/c1-10-4-7-14-13(8-10)12-6-5-11(17)9-15(12)18-16(14,2)3/h4-6,9,13-14,17H,7-8H2,1-3H3/t13-,14+/m0/s1
InChIKeyDXDRGIVLXHOGHC-UONOGXRCSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-ol?
The IUPAC name of (6aR,10aR)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-ol (CID 11218778) is (6aR,10aR)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-ol.
What is the SMILES notation for (6aR,10aR)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-ol?
The canonical SMILES for (6aR,10aR)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-ol is CC1=CC[C@@H]2[C@@H](C1)c1ccc(O)cc1OC2(C)C.
What is the InChIKey of (6aR,10aR)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-ol?
The InChIKey is DXDRGIVLXHOGHC-UONOGXRCSA-N. The full InChI is InChI=1S/C16H20O2/c1-10-4-7-14-13(8-10)12-6-5-11(17)9-15(12)18-16(14,2)3/h4-6,9,13-14,17H,7-8H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of (6aR,10aR)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-ol?
(6aR,10aR)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-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 (6aR,10aR)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-ol is sourced from PubChem (CID 11218778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).