8-ethyl-2,7-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-2-ol

C18H32O — CID 123212756

IUPAC8-ethyl-2,7-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-2-ol
SMILESCCC1C(C)CCC2C3CCC(C)(O)CC3CCC12
InChIInChI=1S/C18H32O/c1-4-14-12(2)5-7-17-15-9-10-18(3,19)11-13(15)6-8-16(14)17/h12-17,19H,4-11H2,1-3H3
InChIKeyJQZIZBXXXHANJA-UHFFFAOYSA-N
MW264.45 g/mol
LogP4.64
Rot. Bonds1

About 8-ethyl-2,7-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-2-ol

8-ethyl-2,7-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-2-ol (PubChem CID 123212756) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 8-ethyl-2,7-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-2-ol.

Molecular Properties

Compound Name8-ethyl-2,7-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-2-ol
PubChem CID123212756
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name8-ethyl-2,7-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-2-ol
SMILESCCC1C(C)CCC2C3CCC(C)(O)CC3CCC12
InChIInChI=1S/C18H32O/c1-4-14-12(2)5-7-17-15-9-10-18(3,19)11-13(15)6-8-16(14)17/h12-17,19H,4-11H2,1-3H3
InChIKeyJQZIZBXXXHANJA-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-8-ethyl-7-methyl-2-propyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-2-ol
CID 163731043
(2R,4aS,4bR,8S,8aR,10aR)-2,7,7,8-tetramethyl-1,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-ol
CID 155396202
(3R,5R,8R,9R,13S,14S,17S)-17-(hydroxymethyl)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 163555255
(3R,8R,9R,10S,13S,14S,17S)-17-(hydroxymethyl)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 146297452
(3R,8R,9R,10S,13S,14S,16R,17R)-17-ethyl-16-fluoro-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 139407788
1-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3-methyl-1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethanone
CID 71554285
(4R,4aS,4bR,6aS,8R,10aS,10bR,12aS)-8-hydroxy-4,8,12a-trimethyl-3,4,4a,4b,5,6,6a,7,9,10,10a,10b,11,12-tetradecahydro-2H-chrysen-1-one
CID 166042184
(2R,4aS,4bR,6aS,7E,10R,10aS,10bR,12aS)-7-ethylidene-2,6a,10-trimethyl-3,4,4a,4b,5,6,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-chrysen-2-ol
CID 166042233
(3R,5S,8R,9R,10S,13S,14S,17S)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 153422632
1-[(3R,8R,9R,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propan-1-one
CID 162747360
(3R,5R,8R,9R,10S,13S,14S,17R)-17-[2-(hydroxymethyl)cyclopropyl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 163383690
(3R,5R,8R,9R,10S,13S,14S,16R)-3-hydroxy-3,13,16-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 153418724

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2,7-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-2-ol?
The IUPAC name of 8-ethyl-2,7-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-2-ol (CID 123212756) is 8-ethyl-2,7-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-2-ol.
What is the SMILES notation for 8-ethyl-2,7-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-2-ol?
The canonical SMILES for 8-ethyl-2,7-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-2-ol is CCC1C(C)CCC2C3CCC(C)(O)CC3CCC12.
What is the InChIKey of 8-ethyl-2,7-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-2-ol?
The InChIKey is JQZIZBXXXHANJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-4-14-12(2)5-7-17-15-9-10-18(3,19)11-13(15)6-8-16(14)17/h12-17,19H,4-11H2,1-3H3.
What are the key properties of 8-ethyl-2,7-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-2-ol?
8-ethyl-2,7-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-2-ol has a molecular weight of 264.45 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2,7-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-2-ol is sourced from PubChem (CID 123212756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).