(6aR,10aR)-6,6,9-trimethyl-3-[2-(4-methylphenyl)propan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol

C26H32O2 — CID 24863253

IUPAC(6aR,10aR)-6,6,9-trimethyl-3-[2-(4-methylphenyl)propan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
SMILESCC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccc(C)cc3)cc1OC2(C)C
InChIInChI=1S/C26H32O2/c1-16-7-10-18(11-8-16)25(3,4)19-14-22(27)24-20-13-17(2)9-12-21(20)26(5,6)28-23(24)15-19/h7-11,14-15,20-21,27H,12-13H2,1-6H3/t20-,21-/m1/s1
InChIKeyMOBRNYCBEKVFQX-NHCUHLMSSA-N
MW376.54 g/mol
LogP6.64
Rot. Bonds2

About (6aR,10aR)-6,6,9-trimethyl-3-[2-(4-methylphenyl)propan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol

(6aR,10aR)-6,6,9-trimethyl-3-[2-(4-methylphenyl)propan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol (PubChem CID 24863253) has the molecular formula C26H32O2 and a molecular weight of 376.54 g/mol. Its IUPAC name is (6aR,10aR)-6,6,9-trimethyl-3-[2-(4-methylphenyl)propan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol.

Molecular Properties

Compound Name(6aR,10aR)-6,6,9-trimethyl-3-[2-(4-methylphenyl)propan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
PubChem CID24863253
Molecular FormulaC26H32O2
Molecular Weight376.54 g/mol
Exact Mass376.24
IUPAC Name(6aR,10aR)-6,6,9-trimethyl-3-[2-(4-methylphenyl)propan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
SMILESCC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccc(C)cc3)cc1OC2(C)C
InChIInChI=1S/C26H32O2/c1-16-7-10-18(11-8-16)25(3,4)19-14-22(27)24-20-13-17(2)9-12-21(20)26(5,6)28-23(24)15-19/h7-11,14-15,20-21,27H,12-13H2,1-6H3/t20-,21-/m1/s1
InChIKeyMOBRNYCBEKVFQX-NHCUHLMSSA-N
XLogP6.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 56.64
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-3-[2-(4-methylphenyl)propan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol?
The IUPAC name of (6aR,10aR)-6,6,9-trimethyl-3-[2-(4-methylphenyl)propan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol (CID 24863253) is (6aR,10aR)-6,6,9-trimethyl-3-[2-(4-methylphenyl)propan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol.
What is the SMILES notation for (6aR,10aR)-6,6,9-trimethyl-3-[2-(4-methylphenyl)propan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol?
The canonical SMILES for (6aR,10aR)-6,6,9-trimethyl-3-[2-(4-methylphenyl)propan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol is CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccc(C)cc3)cc1OC2(C)C.
What is the InChIKey of (6aR,10aR)-6,6,9-trimethyl-3-[2-(4-methylphenyl)propan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol?
The InChIKey is MOBRNYCBEKVFQX-NHCUHLMSSA-N. The full InChI is InChI=1S/C26H32O2/c1-16-7-10-18(11-8-16)25(3,4)19-14-22(27)24-20-13-17(2)9-12-21(20)26(5,6)28-23(24)15-19/h7-11,14-15,20-21,27H,12-13H2,1-6H3/t20-,21-/m1/s1.
What are the key properties of (6aR,10aR)-6,6,9-trimethyl-3-[2-(4-methylphenyl)propan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol?
(6aR,10aR)-6,6,9-trimethyl-3-[2-(4-methylphenyl)propan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol has a molecular weight of 376.54 g/mol, XLogP of 6.64, 2 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-3-[2-(4-methylphenyl)propan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol is sourced from PubChem (CID 24863253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).