4b,7,8,8-tetramethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol

C21H30O — CID 162853466

IUPAC4b,7,8,8-tetramethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol
SMILESCC(C)c1cc2c(cc1O)C1(C)CCC(C)C(C)(C)C1C=C2
InChIInChI=1S/C21H30O/c1-13(2)16-11-15-7-8-19-20(4,5)14(3)9-10-21(19,6)17(15)12-18(16)22/h7-8,11-14,19,22H,9-10H2,1-6H3
InChIKeyZKCPEUHGNUEUIZ-UHFFFAOYSA-N
MW298.47 g/mol
LogP5.87
Rot. Bonds1

About 4b,7,8,8-tetramethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol

4b,7,8,8-tetramethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol (PubChem CID 162853466) has the molecular formula C21H30O and a molecular weight of 298.47 g/mol. Its IUPAC name is 4b,7,8,8-tetramethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol.

Molecular Properties

Compound Name4b,7,8,8-tetramethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol
PubChem CID162853466
Molecular FormulaC21H30O
Molecular Weight298.47 g/mol
Exact Mass298.23
IUPAC Name4b,7,8,8-tetramethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol
SMILESCC(C)c1cc2c(cc1O)C1(C)CCC(C)C(C)(C)C1C=C2
InChIInChI=1S/C21H30O/c1-13(2)16-11-15-7-8-19-20(4,5)14(3)9-10-21(19,6)17(15)12-18(16)22/h7-8,11-14,19,22H,9-10H2,1-6H3
InChIKeyZKCPEUHGNUEUIZ-UHFFFAOYSA-N
XLogP5.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4b,7,8,8-tetramethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol with MolForge

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Launch Full Analysis

Related Compounds

8-(aminomethyl)-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol
CID 142041469
(2R,4aR)-6-methoxy-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthren-2-ol
CID 102361046
(2S,4aS,9S)-9-methoxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
CID 145196060
1,1,4a-trimethyl-6-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol
CID 163002569
(4aR,10aR)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
CID 163065985
(10R)-6,10-dihydroxy-1,4a-dimethyl-7-propan-2-yl-1,2,3,4,10,10a-hexahydrophenanthren-9-one
CID 145196031
(4bS)-3-methoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-4-ol
CID 5319391
(4aS,10aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene
CID 10934481
(4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-4a-carboxylic acid
CID 101257727
1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
CID 117340569
1,4a-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylic acid
CID 19793637
(4bR,8aS,10R)-4b-(hydroxymethyl)-8,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,10-diol
CID 101274446

Frequently Asked Questions

What is the IUPAC name of 4b,7,8,8-tetramethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol?
The IUPAC name of 4b,7,8,8-tetramethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol (CID 162853466) is 4b,7,8,8-tetramethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol.
What is the SMILES notation for 4b,7,8,8-tetramethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol?
The canonical SMILES for 4b,7,8,8-tetramethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol is CC(C)c1cc2c(cc1O)C1(C)CCC(C)C(C)(C)C1C=C2.
What is the InChIKey of 4b,7,8,8-tetramethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol?
The InChIKey is ZKCPEUHGNUEUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O/c1-13(2)16-11-15-7-8-19-20(4,5)14(3)9-10-21(19,6)17(15)12-18(16)22/h7-8,11-14,19,22H,9-10H2,1-6H3.
What are the key properties of 4b,7,8,8-tetramethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol?
4b,7,8,8-tetramethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol has a molecular weight of 298.47 g/mol, XLogP of 5.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,7,8,8-tetramethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol is sourced from PubChem (CID 162853466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).