(2R,4aR)-6-methoxy-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthren-2-ol

C19H26O2 — CID 102361046

IUPAC(2R,4aR)-6-methoxy-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthren-2-ol
SMILESCOc1cc2c(cc1C)C=CC1C(C)(C)[C@H](O)CC[C@@]21C
InChIInChI=1S/C19H26O2/c1-12-10-13-6-7-16-18(2,3)17(20)8-9-19(16,4)14(13)11-15(12)21-5/h6-7,10-11,16-17,20H,8-9H2,1-5H3/t16?,17-,19+/m1/s1
InChIKeyVOAVINJXKSDKJS-QIONWKSUSA-N
MW286.42 g/mol
LogP4.09
Rot. Bonds1

About (2R,4aR)-6-methoxy-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthren-2-ol

(2R,4aR)-6-methoxy-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthren-2-ol (PubChem CID 102361046) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2R,4aR)-6-methoxy-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthren-2-ol.

Molecular Properties

Compound Name(2R,4aR)-6-methoxy-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthren-2-ol
PubChem CID102361046
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(2R,4aR)-6-methoxy-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthren-2-ol
SMILESCOc1cc2c(cc1C)C=CC1C(C)(C)[C@H](O)CC[C@@]21C
InChIInChI=1S/C19H26O2/c1-12-10-13-6-7-16-18(2,3)17(20)8-9-19(16,4)14(13)11-15(12)21-5/h6-7,10-11,16-17,20H,8-9H2,1-5H3/t16?,17-,19+/m1/s1
InChIKeyVOAVINJXKSDKJS-QIONWKSUSA-N
XLogP4.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4aR)-6-methoxy-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthren-2-ol?
The IUPAC name of (2R,4aR)-6-methoxy-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthren-2-ol (CID 102361046) is (2R,4aR)-6-methoxy-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthren-2-ol.
What is the SMILES notation for (2R,4aR)-6-methoxy-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthren-2-ol?
The canonical SMILES for (2R,4aR)-6-methoxy-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthren-2-ol is COc1cc2c(cc1C)C=CC1C(C)(C)[C@H](O)CC[C@@]21C.
What is the InChIKey of (2R,4aR)-6-methoxy-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthren-2-ol?
The InChIKey is VOAVINJXKSDKJS-QIONWKSUSA-N. The full InChI is InChI=1S/C19H26O2/c1-12-10-13-6-7-16-18(2,3)17(20)8-9-19(16,4)14(13)11-15(12)21-5/h6-7,10-11,16-17,20H,8-9H2,1-5H3/t16?,17-,19+/m1/s1.
What are the key properties of (2R,4aR)-6-methoxy-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthren-2-ol?
(2R,4aR)-6-methoxy-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthren-2-ol has a molecular weight of 286.42 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR)-6-methoxy-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthren-2-ol is sourced from PubChem (CID 102361046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).