(4bR,10bR)-4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol

C18H18O2 — CID 12519777

IUPAC(4bR,10bR)-4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol
SMILESOc1ccc2c(c1)CC[C@H]1c3ccc(O)cc3CC[C@@H]21
InChIInChI=1S/C18H18O2/c19-13-3-7-15-11(9-13)1-5-17-16-8-4-14(20)10-12(16)2-6-18(15)17/h3-4,7-10,17-20H,1-2,5-6H2/t17-,18-/m0/s1
InChIKeyWKSBLYZBEPGLTB-ROUUACIJSA-N
MW266.34 g/mol
LogP3.86
Rot. Bonds

About (4bR,10bR)-4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol

(4bR,10bR)-4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol (PubChem CID 12519777) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4bR,10bR)-4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol.

Molecular Properties

Compound Name(4bR,10bR)-4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol
PubChem CID12519777
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(4bR,10bR)-4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol
SMILESOc1ccc2c(c1)CC[C@H]1c3ccc(O)cc3CC[C@@H]21
InChIInChI=1S/C18H18O2/c19-13-3-7-15-11(9-13)1-5-17-16-8-4-14(20)10-12(16)2-6-18(15)17/h3-4,7-10,17-20H,1-2,5-6H2/t17-,18-/m0/s1
InChIKeyWKSBLYZBEPGLTB-ROUUACIJSA-N
XLogP3.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4bR,10bR)-4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol?
The IUPAC name of (4bR,10bR)-4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol (CID 12519777) is (4bR,10bR)-4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol.
What is the SMILES notation for (4bR,10bR)-4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol?
The canonical SMILES for (4bR,10bR)-4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol is Oc1ccc2c(c1)CC[C@H]1c3ccc(O)cc3CC[C@@H]21.
What is the InChIKey of (4bR,10bR)-4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol?
The InChIKey is WKSBLYZBEPGLTB-ROUUACIJSA-N. The full InChI is InChI=1S/C18H18O2/c19-13-3-7-15-11(9-13)1-5-17-16-8-4-14(20)10-12(16)2-6-18(15)17/h3-4,7-10,17-20H,1-2,5-6H2/t17-,18-/m0/s1.
What are the key properties of (4bR,10bR)-4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol?
(4bR,10bR)-4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol has a molecular weight of 266.34 g/mol, XLogP of 3.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR,10bR)-4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol is sourced from PubChem (CID 12519777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).