(10R)-6,10-dihydroxy-1,4a-dimethyl-7-propan-2-yl-1,2,3,4,10,10a-hexahydrophenanthren-9-one

C19H26O3 — CID 145196031

IUPAC(10R)-6,10-dihydroxy-1,4a-dimethyl-7-propan-2-yl-1,2,3,4,10,10a-hexahydrophenanthren-9-one
SMILESCC(C)c1cc2c(cc1O)C1(C)CCCC(C)C1[C@@H](O)C2=O
InChIInChI=1S/C19H26O3/c1-10(2)12-8-13-14(9-15(12)20)19(4)7-5-6-11(3)16(19)18(22)17(13)21/h8-11,16,18,20,22H,5-7H2,1-4H3/t11?,16?,18-,19?/m1/s1
InChIKeyJKMZFPYHNSMIJY-VYOCIKGGSA-N
MW302.41 g/mol
LogP3.77
Rot. Bonds1

About (10R)-6,10-dihydroxy-1,4a-dimethyl-7-propan-2-yl-1,2,3,4,10,10a-hexahydrophenanthren-9-one

(10R)-6,10-dihydroxy-1,4a-dimethyl-7-propan-2-yl-1,2,3,4,10,10a-hexahydrophenanthren-9-one (PubChem CID 145196031) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is (10R)-6,10-dihydroxy-1,4a-dimethyl-7-propan-2-yl-1,2,3,4,10,10a-hexahydrophenanthren-9-one.

Molecular Properties

Compound Name(10R)-6,10-dihydroxy-1,4a-dimethyl-7-propan-2-yl-1,2,3,4,10,10a-hexahydrophenanthren-9-one
PubChem CID145196031
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Name(10R)-6,10-dihydroxy-1,4a-dimethyl-7-propan-2-yl-1,2,3,4,10,10a-hexahydrophenanthren-9-one
SMILESCC(C)c1cc2c(cc1O)C1(C)CCCC(C)C1[C@@H](O)C2=O
InChIInChI=1S/C19H26O3/c1-10(2)12-8-13-14(9-15(12)20)19(4)7-5-6-11(3)16(19)18(22)17(13)21/h8-11,16,18,20,22H,5-7H2,1-4H3/t11?,16?,18-,19?/m1/s1
InChIKeyJKMZFPYHNSMIJY-VYOCIKGGSA-N
XLogP3.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (10R)-6,10-dihydroxy-1,4a-dimethyl-7-propan-2-yl-1,2,3,4,10,10a-hexahydrophenanthren-9-one with MolForge

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Related Compounds

(4aS,10aS)-6,10-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
CID 11771477
(4aR,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
CID 162958652
(1R,4aS,10aR)-6-hydroxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carbaldehyde
CID 14827273
10-hydroxy-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
CID 162821266
(1S,9R,12R)-4-hydroxy-1,11,11-trimethyl-8,10-dioxo-5-propan-2-yltricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carbaldehyde
CID 11209648
(4aR,10aR)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
CID 163065985
6-hydroxy-7-(1-hydroxypropan-2-yl)-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
CID 162860786
4-(4b,8-dimethyl-2-propan-2-yl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-yl)butanoic acid
CID 67472832
6-bromo-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene
CID 67472797
(1R,12R)-4-hydroxy-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16)-tetraene-8,11-dione
CID 11244281
4b,7,8,8-tetramethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol
CID 162853466
(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

Frequently Asked Questions

What is the IUPAC name of (10R)-6,10-dihydroxy-1,4a-dimethyl-7-propan-2-yl-1,2,3,4,10,10a-hexahydrophenanthren-9-one?
The IUPAC name of (10R)-6,10-dihydroxy-1,4a-dimethyl-7-propan-2-yl-1,2,3,4,10,10a-hexahydrophenanthren-9-one (CID 145196031) is (10R)-6,10-dihydroxy-1,4a-dimethyl-7-propan-2-yl-1,2,3,4,10,10a-hexahydrophenanthren-9-one.
What is the SMILES notation for (10R)-6,10-dihydroxy-1,4a-dimethyl-7-propan-2-yl-1,2,3,4,10,10a-hexahydrophenanthren-9-one?
The canonical SMILES for (10R)-6,10-dihydroxy-1,4a-dimethyl-7-propan-2-yl-1,2,3,4,10,10a-hexahydrophenanthren-9-one is CC(C)c1cc2c(cc1O)C1(C)CCCC(C)C1[C@@H](O)C2=O.
What is the InChIKey of (10R)-6,10-dihydroxy-1,4a-dimethyl-7-propan-2-yl-1,2,3,4,10,10a-hexahydrophenanthren-9-one?
The InChIKey is JKMZFPYHNSMIJY-VYOCIKGGSA-N. The full InChI is InChI=1S/C19H26O3/c1-10(2)12-8-13-14(9-15(12)20)19(4)7-5-6-11(3)16(19)18(22)17(13)21/h8-11,16,18,20,22H,5-7H2,1-4H3/t11?,16?,18-,19?/m1/s1.
What are the key properties of (10R)-6,10-dihydroxy-1,4a-dimethyl-7-propan-2-yl-1,2,3,4,10,10a-hexahydrophenanthren-9-one?
(10R)-6,10-dihydroxy-1,4a-dimethyl-7-propan-2-yl-1,2,3,4,10,10a-hexahydrophenanthren-9-one has a molecular weight of 302.41 g/mol, XLogP of 3.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-6,10-dihydroxy-1,4a-dimethyl-7-propan-2-yl-1,2,3,4,10,10a-hexahydrophenanthren-9-one is sourced from PubChem (CID 145196031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).