[(4bR,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]methanol

C20H30O — CID 162906704

IUPAC[(4bR,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]methanol
SMILESCCc1c(CO)ccc2c1CC[C@H]1C(C)(C)CCC[C@@]21C
InChIInChI=1S/C20H30O/c1-5-15-14(13-21)7-9-17-16(15)8-10-18-19(2,3)11-6-12-20(17,18)4/h7,9,18,21H,5-6,8,10-13H2,1-4H3/t18-,20-/m0/s1
InChIKeyPUZFEMFUMHPTLQ-ICSRJNTNSA-N
MW286.46 g/mol
LogP4.77
Rot. Bonds2

About [(4bR,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]methanol

[(4bR,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]methanol (PubChem CID 162906704) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is [(4bR,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]methanol.

Molecular Properties

Compound Name[(4bR,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]methanol
PubChem CID162906704
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name[(4bR,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]methanol
SMILESCCc1c(CO)ccc2c1CC[C@H]1C(C)(C)CCC[C@@]21C
InChIInChI=1S/C20H30O/c1-5-15-14(13-21)7-9-17-16(15)8-10-18-19(2,3)11-6-12-20(17,18)4/h7,9,18,21H,5-6,8,10-13H2,1-4H3/t18-,20-/m0/s1
InChIKeyPUZFEMFUMHPTLQ-ICSRJNTNSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(4bR,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]methanol?
The IUPAC name of [(4bR,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]methanol (CID 162906704) is [(4bR,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]methanol.
What is the SMILES notation for [(4bR,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]methanol?
The canonical SMILES for [(4bR,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]methanol is CCc1c(CO)ccc2c1CC[C@H]1C(C)(C)CCC[C@@]21C.
What is the InChIKey of [(4bR,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]methanol?
The InChIKey is PUZFEMFUMHPTLQ-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H30O/c1-5-15-14(13-21)7-9-17-16(15)8-10-18-19(2,3)11-6-12-20(17,18)4/h7,9,18,21H,5-6,8,10-13H2,1-4H3/t18-,20-/m0/s1.
What are the key properties of [(4bR,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]methanol?
[(4bR,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]methanol has a molecular weight of 286.46 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4bR,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]methanol is sourced from PubChem (CID 162906704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).