6-ethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol;propane

C19H30O — CID 142151441

IUPAC6-ethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol;propane
SMILESCCC.CCC1CCC2CCc3cc(O)ccc3C2C1
InChIInChI=1S/C16H22O.C3H8/c1-2-11-3-4-12-5-6-13-10-14(17)7-8-15(13)16(12)9-11;1-3-2/h7-8,10-12,16-17H,2-6,9H2,1H3;3H2,1-2H3
InChIKeyPDEXXHRLKRIOFP-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.66
Rot. Bonds1

About 6-ethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol;propane

6-ethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol;propane (PubChem CID 142151441) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 6-ethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol;propane.

Molecular Properties

Compound Name6-ethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol;propane
PubChem CID142151441
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name6-ethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol;propane
SMILESCCC.CCC1CCC2CCc3cc(O)ccc3C2C1
InChIInChI=1S/C16H22O.C3H8/c1-2-11-3-4-12-5-6-13-10-14(17)7-8-15(13)16(12)9-11;1-3-2/h7-8,10-12,16-17H,2-6,9H2,1H3;3H2,1-2H3
InChIKeyPDEXXHRLKRIOFP-UHFFFAOYSA-N
XLogP5.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2,7-diol
CID 146232812
7-(hydroxymethyl)-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol
CID 14409750
5-ethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22998647
butane;(6S)-5-ethyl-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 143278519
5-(4-ethylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82985819
5,6,6a,7,8,12b-hexahydrobenzo[g]phenanthrene-2,3,10-triol
CID 19431313
(13S,17Z)-13-methyl-17-propylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
CID 59958317
(8S,9S,13S,14S,17E)-13-methyl-17-propylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
CID 53325737
4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-ol
CID 14039992
13-methyl-17-propylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,12-diol
CID 123427743
4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenol
CID 22384398
(2R,4aR,10aR)-2-cyclopropyl-1-ethyl-2,7-dihydroxy-1,4,4a,9,10,10a-hexahydrophenanthren-3-one
CID 68832214

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol;propane?
The IUPAC name of 6-ethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol;propane (CID 142151441) is 6-ethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol;propane.
What is the SMILES notation for 6-ethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol;propane?
The canonical SMILES for 6-ethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol;propane is CCC.CCC1CCC2CCc3cc(O)ccc3C2C1.
What is the InChIKey of 6-ethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol;propane?
The InChIKey is PDEXXHRLKRIOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O.C3H8/c1-2-11-3-4-12-5-6-13-10-14(17)7-8-15(13)16(12)9-11;1-3-2/h7-8,10-12,16-17H,2-6,9H2,1H3;3H2,1-2H3.
What are the key properties of 6-ethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol;propane?
6-ethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol;propane has a molecular weight of 274.45 g/mol, XLogP of 5.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol;propane is sourced from PubChem (CID 142151441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).