(6aR,10aS)-9-methyl-6-methylidene-3-(2-phenylethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol

C23H24O2 — CID 156871656

IUPAC(6aR,10aS)-9-methyl-6-methylidene-3-(2-phenylethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
SMILESC=C1Oc2cc(CCc3ccccc3)cc(O)c2[C@H]2C=C(C)CC[C@@H]12
InChIInChI=1S/C23H24O2/c1-15-8-11-19-16(2)25-22-14-18(10-9-17-6-4-3-5-7-17)13-21(24)23(22)20(19)12-15/h3-7,12-14,19-20,24H,2,8-11H2,1H3/t19-,20-/m0/s1
InChIKeyYUWNDTNRGIWEGD-PMACEKPBSA-N
MW332.44 g/mol
LogP5.52
Rot. Bonds3

About (6aR,10aS)-9-methyl-6-methylidene-3-(2-phenylethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol

(6aR,10aS)-9-methyl-6-methylidene-3-(2-phenylethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol (PubChem CID 156871656) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is (6aR,10aS)-9-methyl-6-methylidene-3-(2-phenylethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol.

Molecular Properties

Compound Name(6aR,10aS)-9-methyl-6-methylidene-3-(2-phenylethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
PubChem CID156871656
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name(6aR,10aS)-9-methyl-6-methylidene-3-(2-phenylethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
SMILESC=C1Oc2cc(CCc3ccccc3)cc(O)c2[C@H]2C=C(C)CC[C@@H]12
InChIInChI=1S/C23H24O2/c1-15-8-11-19-16(2)25-22-14-18(10-9-17-6-4-3-5-7-17)13-21(24)23(22)20(19)12-15/h3-7,12-14,19-20,24H,2,8-11H2,1H3/t19-,20-/m0/s1
InChIKeyYUWNDTNRGIWEGD-PMACEKPBSA-N
XLogP5.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.52
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,10aS)-9-methyl-6-methylidene-3-(2-phenylethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol?
The IUPAC name of (6aR,10aS)-9-methyl-6-methylidene-3-(2-phenylethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol (CID 156871656) is (6aR,10aS)-9-methyl-6-methylidene-3-(2-phenylethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol.
What is the SMILES notation for (6aR,10aS)-9-methyl-6-methylidene-3-(2-phenylethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol?
The canonical SMILES for (6aR,10aS)-9-methyl-6-methylidene-3-(2-phenylethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol is C=C1Oc2cc(CCc3ccccc3)cc(O)c2[C@H]2C=C(C)CC[C@@H]12.
What is the InChIKey of (6aR,10aS)-9-methyl-6-methylidene-3-(2-phenylethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol?
The InChIKey is YUWNDTNRGIWEGD-PMACEKPBSA-N. The full InChI is InChI=1S/C23H24O2/c1-15-8-11-19-16(2)25-22-14-18(10-9-17-6-4-3-5-7-17)13-21(24)23(22)20(19)12-15/h3-7,12-14,19-20,24H,2,8-11H2,1H3/t19-,20-/m0/s1.
What are the key properties of (6aR,10aS)-9-methyl-6-methylidene-3-(2-phenylethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol?
(6aR,10aS)-9-methyl-6-methylidene-3-(2-phenylethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol has a molecular weight of 332.44 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aS)-9-methyl-6-methylidene-3-(2-phenylethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol is sourced from PubChem (CID 156871656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).