(5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol

C22H34O3 — CID 19029827

IUPAC(5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol
SMILESCOc1cc(C(C)C)c(OC)c2c1C1(C)CCCC(C)(CO)C1CC2
InChIInChI=1S/C22H34O3/c1-14(2)16-12-17(24-5)19-15(20(16)25-6)8-9-18-21(3,13-23)10-7-11-22(18,19)4/h12,14,18,23H,7-11,13H2,1-6H3
InChIKeyMIWGYPRZTYTKBG-UHFFFAOYSA-N
MW346.51 g/mol
LogP4.83
Rot. Bonds4

About (5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol

(5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol (PubChem CID 19029827) has the molecular formula C22H34O3 and a molecular weight of 346.51 g/mol. Its IUPAC name is (5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol.

Molecular Properties

Compound Name(5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol
PubChem CID19029827
Molecular FormulaC22H34O3
Molecular Weight346.51 g/mol
Exact Mass346.25
IUPAC Name(5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol
SMILESCOc1cc(C(C)C)c(OC)c2c1C1(C)CCCC(C)(CO)C1CC2
InChIInChI=1S/C22H34O3/c1-14(2)16-12-17(24-5)19-15(20(16)25-6)8-9-18-21(3,13-23)10-7-11-22(18,19)4/h12,14,18,23H,7-11,13H2,1-6H3
InChIKeyMIWGYPRZTYTKBG-UHFFFAOYSA-N
XLogP4.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol?
The IUPAC name of (5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol (CID 19029827) is (5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol.
What is the SMILES notation for (5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol?
The canonical SMILES for (5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol is COc1cc(C(C)C)c(OC)c2c1C1(C)CCCC(C)(CO)C1CC2.
What is the InChIKey of (5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol?
The InChIKey is MIWGYPRZTYTKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O3/c1-14(2)16-12-17(24-5)19-15(20(16)25-6)8-9-18-21(3,13-23)10-7-11-22(18,19)4/h12,14,18,23H,7-11,13H2,1-6H3.
What are the key properties of (5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol?
(5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol has a molecular weight of 346.51 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol is sourced from PubChem (CID 19029827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).