(4aS,4bR,8aR,10aS)-7-(2-hydroxyethyl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-8a-ol

C19H34O2 — CID 23626967

IUPAC(4aS,4bR,8aR,10aS)-7-(2-hydroxyethyl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-8a-ol
SMILESCC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(O)CC(CCO)CC[C@@H]12
InChIInChI=1S/C19H34O2/c1-17(2)9-4-10-18(3)15(17)7-11-19(21)13-14(8-12-20)5-6-16(18)19/h14-16,20-21H,4-13H2,1-3H3/t14?,15-,16+,18-,19+/m0/s1
InChIKeyWNOKPUFHOGSTHI-LJCVMHGWSA-N
MW294.48 g/mol
LogP4.14
Rot. Bonds2

About (4aS,4bR,8aR,10aS)-7-(2-hydroxyethyl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-8a-ol

(4aS,4bR,8aR,10aS)-7-(2-hydroxyethyl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-8a-ol (PubChem CID 23626967) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is (4aS,4bR,8aR,10aS)-7-(2-hydroxyethyl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-8a-ol.

Molecular Properties

Compound Name(4aS,4bR,8aR,10aS)-7-(2-hydroxyethyl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-8a-ol
PubChem CID23626967
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name(4aS,4bR,8aR,10aS)-7-(2-hydroxyethyl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-8a-ol
SMILESCC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(O)CC(CCO)CC[C@@H]12
InChIInChI=1S/C19H34O2/c1-17(2)9-4-10-18(3)15(17)7-11-19(21)13-14(8-12-20)5-6-16(18)19/h14-16,20-21H,4-13H2,1-3H3/t14?,15-,16+,18-,19+/m0/s1
InChIKeyWNOKPUFHOGSTHI-LJCVMHGWSA-N
XLogP4.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4aS,4bR,8aR,10aS)-7-(2-hydroxyethyl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-8a-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,4bR,8aR,10aS)-7-(2-hydroxyethyl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-8a-ol?
The IUPAC name of (4aS,4bR,8aR,10aS)-7-(2-hydroxyethyl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-8a-ol (CID 23626967) is (4aS,4bR,8aR,10aS)-7-(2-hydroxyethyl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-8a-ol.
What is the SMILES notation for (4aS,4bR,8aR,10aS)-7-(2-hydroxyethyl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-8a-ol?
The canonical SMILES for (4aS,4bR,8aR,10aS)-7-(2-hydroxyethyl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-8a-ol is CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(O)CC(CCO)CC[C@@H]12.
What is the InChIKey of (4aS,4bR,8aR,10aS)-7-(2-hydroxyethyl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-8a-ol?
The InChIKey is WNOKPUFHOGSTHI-LJCVMHGWSA-N. The full InChI is InChI=1S/C19H34O2/c1-17(2)9-4-10-18(3)15(17)7-11-19(21)13-14(8-12-20)5-6-16(18)19/h14-16,20-21H,4-13H2,1-3H3/t14?,15-,16+,18-,19+/m0/s1.
What are the key properties of (4aS,4bR,8aR,10aS)-7-(2-hydroxyethyl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-8a-ol?
(4aS,4bR,8aR,10aS)-7-(2-hydroxyethyl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-8a-ol has a molecular weight of 294.48 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,4bR,8aR,10aS)-7-(2-hydroxyethyl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-8a-ol is sourced from PubChem (CID 23626967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).