(2R,4R)-4-[[(4aS,10aS)-7-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]methoxy]pentan-2-ol

C24H38O3 — CID 71173516

IUPAC(2R,4R)-4-[[(4aS,10aS)-7-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]methoxy]pentan-2-ol
SMILESCOc1ccc2c(c1)CC[C@H]1C(C)(C)C(CO[C@H](C)C[C@@H](C)O)CC[C@]21C
InChIInChI=1S/C24H38O3/c1-16(25)13-17(2)27-15-19-11-12-24(5)21-9-8-20(26-6)14-18(21)7-10-22(24)23(19,3)4/h8-9,14,16-17,19,22,25H,7,10-13,15H2,1-6H3/t16-,17-,19?,22+,24-/m1/s1
InChIKeyFDKGTRMGQSLBCE-GDLQSYDMSA-N
MW374.57 g/mol
LogP5.13
Rot. Bonds6

About (2R,4R)-4-[[(4aS,10aS)-7-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]methoxy]pentan-2-ol

(2R,4R)-4-[[(4aS,10aS)-7-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]methoxy]pentan-2-ol (PubChem CID 71173516) has the molecular formula C24H38O3 and a molecular weight of 374.57 g/mol. Its IUPAC name is (2R,4R)-4-[[(4aS,10aS)-7-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]methoxy]pentan-2-ol.

Molecular Properties

Compound Name(2R,4R)-4-[[(4aS,10aS)-7-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]methoxy]pentan-2-ol
PubChem CID71173516
Molecular FormulaC24H38O3
Molecular Weight374.57 g/mol
Exact Mass374.28
IUPAC Name(2R,4R)-4-[[(4aS,10aS)-7-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]methoxy]pentan-2-ol
SMILESCOc1ccc2c(c1)CC[C@H]1C(C)(C)C(CO[C@H](C)C[C@@H](C)O)CC[C@]21C
InChIInChI=1S/C24H38O3/c1-16(25)13-17(2)27-15-19-11-12-24(5)21-9-8-20(26-6)14-18(21)7-10-22(24)23(19,3)4/h8-9,14,16-17,19,22,25H,7,10-13,15H2,1-6H3/t16-,17-,19?,22+,24-/m1/s1
InChIKeyFDKGTRMGQSLBCE-GDLQSYDMSA-N
XLogP5.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,4R)-4-[[(4aS,10aS)-7-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]methoxy]pentan-2-ol with MolForge

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Related Compounds

7-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
CID 11335200
(2S,4aS)-2-iodo-6-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene
CID 66806738
(2R)-4-[[(2S,4aS,10aS)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]-phenylmethoxy]pentan-2-ol
CID 71173530
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
(2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol
CID 135067648
N-[[(4aR,4bS,10bR,12aR)-8-methoxy-4a,10b,12a-trimethyl-4,4b,5,6,11,12-hexahydro-3H-chrysen-1-yl]oxy-(dimethylamino)phosphoryl]-N-methylmethanamine
CID 135048535
1-[[(1R,4aS,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-3-(2,4-dimethoxyphenyl)urea
CID 40911109
N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 42702315
[(2R,4aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl] acetate
CID 10892811
ethane;(1S)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CID 142907152
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 79368775

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-[[(4aS,10aS)-7-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]methoxy]pentan-2-ol?
The IUPAC name of (2R,4R)-4-[[(4aS,10aS)-7-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]methoxy]pentan-2-ol (CID 71173516) is (2R,4R)-4-[[(4aS,10aS)-7-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]methoxy]pentan-2-ol.
What is the SMILES notation for (2R,4R)-4-[[(4aS,10aS)-7-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]methoxy]pentan-2-ol?
The canonical SMILES for (2R,4R)-4-[[(4aS,10aS)-7-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]methoxy]pentan-2-ol is COc1ccc2c(c1)CC[C@H]1C(C)(C)C(CO[C@H](C)C[C@@H](C)O)CC[C@]21C.
What is the InChIKey of (2R,4R)-4-[[(4aS,10aS)-7-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]methoxy]pentan-2-ol?
The InChIKey is FDKGTRMGQSLBCE-GDLQSYDMSA-N. The full InChI is InChI=1S/C24H38O3/c1-16(25)13-17(2)27-15-19-11-12-24(5)21-9-8-20(26-6)14-18(21)7-10-22(24)23(19,3)4/h8-9,14,16-17,19,22,25H,7,10-13,15H2,1-6H3/t16-,17-,19?,22+,24-/m1/s1.
What are the key properties of (2R,4R)-4-[[(4aS,10aS)-7-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]methoxy]pentan-2-ol?
(2R,4R)-4-[[(4aS,10aS)-7-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]methoxy]pentan-2-ol has a molecular weight of 374.57 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-[[(4aS,10aS)-7-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]methoxy]pentan-2-ol is sourced from PubChem (CID 71173516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).