(8aR)-6,9,9-trimethyl-2-propyl-5,8,8a,10-tetrahydro-4bH-phenanthren-4-ol

C20H28O — CID 156642763

IUPAC(8aR)-6,9,9-trimethyl-2-propyl-5,8,8a,10-tetrahydro-4bH-phenanthren-4-ol
SMILESCCCc1cc(O)c2c(c1)CC(C)(C)[C@@H]1CC=C(C)CC21
InChIInChI=1S/C20H28O/c1-5-6-14-10-15-12-20(3,4)17-8-7-13(2)9-16(17)19(15)18(21)11-14/h7,10-11,16-17,21H,5-6,8-9,12H2,1-4H3/t16?,17-/m1/s1
InChIKeyWEAIURONCMGJJN-ZYMOGRSISA-N
MW284.44 g/mol
LogP5.37
Rot. Bonds2

About (8aR)-6,9,9-trimethyl-2-propyl-5,8,8a,10-tetrahydro-4bH-phenanthren-4-ol

(8aR)-6,9,9-trimethyl-2-propyl-5,8,8a,10-tetrahydro-4bH-phenanthren-4-ol (PubChem CID 156642763) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is (8aR)-6,9,9-trimethyl-2-propyl-5,8,8a,10-tetrahydro-4bH-phenanthren-4-ol.

Molecular Properties

Compound Name(8aR)-6,9,9-trimethyl-2-propyl-5,8,8a,10-tetrahydro-4bH-phenanthren-4-ol
PubChem CID156642763
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name(8aR)-6,9,9-trimethyl-2-propyl-5,8,8a,10-tetrahydro-4bH-phenanthren-4-ol
SMILESCCCc1cc(O)c2c(c1)CC(C)(C)[C@@H]1CC=C(C)CC21
InChIInChI=1S/C20H28O/c1-5-6-14-10-15-12-20(3,4)17-8-7-13(2)9-16(17)19(15)18(21)11-14/h7,10-11,16-17,21H,5-6,8-9,12H2,1-4H3/t16?,17-/m1/s1
InChIKeyWEAIURONCMGJJN-ZYMOGRSISA-N
XLogP5.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (8aR)-6,9,9-trimethyl-2-propyl-5,8,8a,10-tetrahydro-4bH-phenanthren-4-ol with MolForge

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Related Compounds

(4bR,8aR)-2-(2-cycloheptylpropan-2-yl)-6,9,9-trimethyl-5,8,8a,10-tetrahydro-4bH-phenanthren-4-ol
CID 70807472
2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-5-propylbenzene-1,3-diol
CID 139494847
(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
CID 160843139
4-methylbenzenesulfonic acid;6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
CID 24837520
3-[(Z)-hex-1-enyl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
CID 10042068
(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromene-4-carboxylic acid
CID 71358735
(6S,6aR,10aR)-6,9-dimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
CID 134848646
(10aR)-3-tert-butyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
CID 143174069
(6aS,10aR)-3-(2-hexyl-1,3-dioxolan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
CID 163908270
6,9-dimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol;ethane
CID 142136715
6-[6-[(6aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-yl]hexyl]-6,9-dimethyl-3-pentylbenzo[c]chromen-1-ol
CID 137474886
3-(dimethylamino)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
CID 609439

Frequently Asked Questions

What is the IUPAC name of (8aR)-6,9,9-trimethyl-2-propyl-5,8,8a,10-tetrahydro-4bH-phenanthren-4-ol?
The IUPAC name of (8aR)-6,9,9-trimethyl-2-propyl-5,8,8a,10-tetrahydro-4bH-phenanthren-4-ol (CID 156642763) is (8aR)-6,9,9-trimethyl-2-propyl-5,8,8a,10-tetrahydro-4bH-phenanthren-4-ol.
What is the SMILES notation for (8aR)-6,9,9-trimethyl-2-propyl-5,8,8a,10-tetrahydro-4bH-phenanthren-4-ol?
The canonical SMILES for (8aR)-6,9,9-trimethyl-2-propyl-5,8,8a,10-tetrahydro-4bH-phenanthren-4-ol is CCCc1cc(O)c2c(c1)CC(C)(C)[C@@H]1CC=C(C)CC21.
What is the InChIKey of (8aR)-6,9,9-trimethyl-2-propyl-5,8,8a,10-tetrahydro-4bH-phenanthren-4-ol?
The InChIKey is WEAIURONCMGJJN-ZYMOGRSISA-N. The full InChI is InChI=1S/C20H28O/c1-5-6-14-10-15-12-20(3,4)17-8-7-13(2)9-16(17)19(15)18(21)11-14/h7,10-11,16-17,21H,5-6,8-9,12H2,1-4H3/t16?,17-/m1/s1.
What are the key properties of (8aR)-6,9,9-trimethyl-2-propyl-5,8,8a,10-tetrahydro-4bH-phenanthren-4-ol?
(8aR)-6,9,9-trimethyl-2-propyl-5,8,8a,10-tetrahydro-4bH-phenanthren-4-ol has a molecular weight of 284.44 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-6,9,9-trimethyl-2-propyl-5,8,8a,10-tetrahydro-4bH-phenanthren-4-ol is sourced from PubChem (CID 156642763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).