(13S)-3-methoxy-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-ol

C19H20O2 — CID 22295689

IUPAC(13S)-3-methoxy-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-ol
SMILESCOc1ccc2c3c(ccc2c1)C1=CCC(O)[C@@]1(C)CC3
InChIInChI=1S/C19H20O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h3-7,11,18,20H,8-10H2,1-2H3/t18?,19-/m0/s1
InChIKeyIKHVYNXXOGSUKG-GGYWPGCISA-N
MW280.37 g/mol
LogP3.95
Rot. Bonds1

About (13S)-3-methoxy-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-ol

(13S)-3-methoxy-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-ol (PubChem CID 22295689) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (13S)-3-methoxy-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-ol.

Molecular Properties

Compound Name(13S)-3-methoxy-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-ol
PubChem CID22295689
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(13S)-3-methoxy-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-ol
SMILESCOc1ccc2c3c(ccc2c1)C1=CCC(O)[C@@]1(C)CC3
InChIInChI=1S/C19H20O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h3-7,11,18,20H,8-10H2,1-2H3/t18?,19-/m0/s1
InChIKeyIKHVYNXXOGSUKG-GGYWPGCISA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (13S)-3-methoxy-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-ol?
The IUPAC name of (13S)-3-methoxy-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-ol (CID 22295689) is (13S)-3-methoxy-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-ol.
What is the SMILES notation for (13S)-3-methoxy-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-ol?
The canonical SMILES for (13S)-3-methoxy-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-ol is COc1ccc2c3c(ccc2c1)C1=CCC(O)[C@@]1(C)CC3.
What is the InChIKey of (13S)-3-methoxy-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-ol?
The InChIKey is IKHVYNXXOGSUKG-GGYWPGCISA-N. The full InChI is InChI=1S/C19H20O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h3-7,11,18,20H,8-10H2,1-2H3/t18?,19-/m0/s1.
What are the key properties of (13S)-3-methoxy-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-ol?
(13S)-3-methoxy-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-ol has a molecular weight of 280.37 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (13S)-3-methoxy-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-ol is sourced from PubChem (CID 22295689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).