7-(hydroxymethyl)-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol

C16H22O2 — CID 14409750

IUPAC7-(hydroxymethyl)-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol
SMILESCC1(CO)CCC2c3ccc(O)cc3CCC2C1
InChIInChI=1S/C16H22O2/c1-16(10-17)7-6-15-12(9-16)3-2-11-8-13(18)4-5-14(11)15/h4-5,8,12,15,17-18H,2-3,6-7,9-10H2,1H3
InChIKeyCDWUGEITSGKYCR-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.22
Rot. Bonds1

About 7-(hydroxymethyl)-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol

7-(hydroxymethyl)-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol (PubChem CID 14409750) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 7-(hydroxymethyl)-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol.

Molecular Properties

Compound Name7-(hydroxymethyl)-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol
PubChem CID14409750
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name7-(hydroxymethyl)-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol
SMILESCC1(CO)CCC2c3ccc(O)cc3CCC2C1
InChIInChI=1S/C16H22O2/c1-16(10-17)7-6-15-12(9-16)3-2-11-8-13(18)4-5-14(11)15/h4-5,8,12,15,17-18H,2-3,6-7,9-10H2,1H3
InChIKeyCDWUGEITSGKYCR-UHFFFAOYSA-N
XLogP3.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3'-ethynylspiro[5,6,8,8a,9,10-hexahydro-4bH-phenanthrene-7,2'-oxirane]-2-ol
CID 123703346
(4bS,7S,8aS)-7-methyl-7-(4,4,4-trifluoro-1-hydroxybut-2-ynyl)-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol
CID 102060275
1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2,7-diol
CID 146232812
(8S)-7,7,8-trimethyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol
CID 58697889
(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
(13S)-13,17-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol
CID 54077296
ethane;13-methyl-6,7,8,9,11,12,14,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
CID 166485088
(8R,9S,13R,14S)-13-(hydroxymethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
CID 53325101
6-ethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol;propane
CID 142151441
(17E)-17-(2-hydroxyethylidene)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
CID 66959776
(8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
CID 22967916

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol?
The IUPAC name of 7-(hydroxymethyl)-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol (CID 14409750) is 7-(hydroxymethyl)-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol.
What is the SMILES notation for 7-(hydroxymethyl)-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol?
The canonical SMILES for 7-(hydroxymethyl)-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol is CC1(CO)CCC2c3ccc(O)cc3CCC2C1.
What is the InChIKey of 7-(hydroxymethyl)-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol?
The InChIKey is CDWUGEITSGKYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-16(10-17)7-6-15-12(9-16)3-2-11-8-13(18)4-5-14(11)15/h4-5,8,12,15,17-18H,2-3,6-7,9-10H2,1H3.
What are the key properties of 7-(hydroxymethyl)-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol?
7-(hydroxymethyl)-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol has a molecular weight of 246.35 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol is sourced from PubChem (CID 14409750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).