[(1S,4aS,10aR)-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol

C18H26O — CID 132575131

IUPAC[(1S,4aS,10aR)-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol
SMILESCc1ccc2c(c1)CC[C@H]1[C@@](C)(CO)CCC[C@]21C
InChIInChI=1S/C18H26O/c1-13-5-7-15-14(11-13)6-8-16-17(2,12-19)9-4-10-18(15,16)3/h5,7,11,16,19H,4,6,8-10,12H2,1-3H3/t16-,17+,18+/m0/s1
InChIKeyYBLVFEZIDBFJET-RCCFBDPRSA-N
MW258.40 g/mol
LogP4.00
Rot. Bonds1

About [(1S,4aS,10aR)-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol

[(1S,4aS,10aR)-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol (PubChem CID 132575131) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is [(1S,4aS,10aR)-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol.

Molecular Properties

Compound Name[(1S,4aS,10aR)-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol
PubChem CID132575131
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name[(1S,4aS,10aR)-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol
SMILESCc1ccc2c(c1)CC[C@H]1[C@@](C)(CO)CCC[C@]21C
InChIInChI=1S/C18H26O/c1-13-5-7-15-14(11-13)6-8-16-17(2,12-19)9-4-10-18(15,16)3/h5,7,11,16,19H,4,6,8-10,12H2,1-3H3/t16-,17+,18+/m0/s1
InChIKeyYBLVFEZIDBFJET-RCCFBDPRSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(1S,4aS,10aR)-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol with MolForge

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Related Compounds

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CID 53325060

Frequently Asked Questions

What is the IUPAC name of [(1S,4aS,10aR)-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol?
The IUPAC name of [(1S,4aS,10aR)-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol (CID 132575131) is [(1S,4aS,10aR)-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol.
What is the SMILES notation for [(1S,4aS,10aR)-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol?
The canonical SMILES for [(1S,4aS,10aR)-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol is Cc1ccc2c(c1)CC[C@H]1[C@@](C)(CO)CCC[C@]21C.
What is the InChIKey of [(1S,4aS,10aR)-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol?
The InChIKey is YBLVFEZIDBFJET-RCCFBDPRSA-N. The full InChI is InChI=1S/C18H26O/c1-13-5-7-15-14(11-13)6-8-16-17(2,12-19)9-4-10-18(15,16)3/h5,7,11,16,19H,4,6,8-10,12H2,1-3H3/t16-,17+,18+/m0/s1.
What are the key properties of [(1S,4aS,10aR)-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol?
[(1S,4aS,10aR)-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol has a molecular weight of 258.40 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4aS,10aR)-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol is sourced from PubChem (CID 132575131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).