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

C27H34O2 — CID 44593428

IUPAC(6aR,10aR)-3-[2-(4-ethylphenyl)propan-2-yl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
SMILESCCc1ccc(C(C)(C)c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)cc1
InChIInChI=1S/C27H34O2/c1-7-18-9-11-19(12-10-18)26(3,4)20-15-23(28)25-21-14-17(2)8-13-22(21)27(5,6)29-24(25)16-20/h8-12,15-16,21-22,28H,7,13-14H2,1-6H3/t21-,22-/m1/s1
InChIKeyFWCLETPIGPWXKI-FGZHOGPDSA-N
MW390.57 g/mol
LogP6.89
Rot. Bonds3

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

(6aR,10aR)-3-[2-(4-ethylphenyl)propan-2-yl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol (PubChem CID 44593428) has the molecular formula C27H34O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is (6aR,10aR)-3-[2-(4-ethylphenyl)propan-2-yl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol.

Molecular Properties

Compound Name(6aR,10aR)-3-[2-(4-ethylphenyl)propan-2-yl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
PubChem CID44593428
Molecular FormulaC27H34O2
Molecular Weight390.57 g/mol
Exact Mass390.26
IUPAC Name(6aR,10aR)-3-[2-(4-ethylphenyl)propan-2-yl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
SMILESCCc1ccc(C(C)(C)c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)cc1
InChIInChI=1S/C27H34O2/c1-7-18-9-11-19(12-10-18)26(3,4)20-15-23(28)25-21-14-17(2)8-13-22(21)27(5,6)29-24(25)16-20/h8-12,15-16,21-22,28H,7,13-14H2,1-6H3/t21-,22-/m1/s1
InChIKeyFWCLETPIGPWXKI-FGZHOGPDSA-N
XLogP6.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 56.89
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)-3-[2-(4-ethylphenyl)propan-2-yl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol?
The IUPAC name of (6aR,10aR)-3-[2-(4-ethylphenyl)propan-2-yl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol (CID 44593428) is (6aR,10aR)-3-[2-(4-ethylphenyl)propan-2-yl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol.
What is the SMILES notation for (6aR,10aR)-3-[2-(4-ethylphenyl)propan-2-yl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol?
The canonical SMILES for (6aR,10aR)-3-[2-(4-ethylphenyl)propan-2-yl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol is CCc1ccc(C(C)(C)c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)cc1.
What is the InChIKey of (6aR,10aR)-3-[2-(4-ethylphenyl)propan-2-yl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol?
The InChIKey is FWCLETPIGPWXKI-FGZHOGPDSA-N. The full InChI is InChI=1S/C27H34O2/c1-7-18-9-11-19(12-10-18)26(3,4)20-15-23(28)25-21-14-17(2)8-13-22(21)27(5,6)29-24(25)16-20/h8-12,15-16,21-22,28H,7,13-14H2,1-6H3/t21-,22-/m1/s1.
What are the key properties of (6aR,10aR)-3-[2-(4-ethylphenyl)propan-2-yl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol?
(6aR,10aR)-3-[2-(4-ethylphenyl)propan-2-yl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol has a molecular weight of 390.57 g/mol, XLogP of 6.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-3-[2-(4-ethylphenyl)propan-2-yl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol is sourced from PubChem (CID 44593428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).