15-ethylsulfanyl-2-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthrene

C20H20OS — CID 15285058

IUPAC15-ethylsulfanyl-2-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthrene
SMILESCCSC1CCc2ccc3c(ccc4ccc(OC)cc43)c21
InChIInChI=1S/C20H20OS/c1-3-22-19-11-7-14-6-9-16-17(20(14)19)10-5-13-4-8-15(21-2)12-18(13)16/h4-6,8-10,12,19H,3,7,11H2,1-2H3
InChIKeyQQXOHCQVECNNRC-UHFFFAOYSA-N
MW308.45 g/mol
LogP5.74
Rot. Bonds3

About 15-ethylsulfanyl-2-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthrene

15-ethylsulfanyl-2-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthrene (PubChem CID 15285058) has the molecular formula C20H20OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 15-ethylsulfanyl-2-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthrene.

Molecular Properties

Compound Name15-ethylsulfanyl-2-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthrene
PubChem CID15285058
Molecular FormulaC20H20OS
Molecular Weight308.45 g/mol
Exact Mass308.12
IUPAC Name15-ethylsulfanyl-2-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthrene
SMILESCCSC1CCc2ccc3c(ccc4ccc(OC)cc43)c21
InChIInChI=1S/C20H20OS/c1-3-22-19-11-7-14-6-9-16-17(20(14)19)10-5-13-4-8-15(21-2)12-18(13)16/h4-6,8-10,12,19H,3,7,11H2,1-2H3
InChIKeyQQXOHCQVECNNRC-UHFFFAOYSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.45
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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6-methoxy-1,2,3,4-tetrahydrophenanthrene
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5-methoxypentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene
CID 16658388
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
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(2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 131025344
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CID 10845865
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 79368775
6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
CID 12067529
1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene
CID 102014911
7-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 77142132

Frequently Asked Questions

What is the IUPAC name of 15-ethylsulfanyl-2-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthrene?
The IUPAC name of 15-ethylsulfanyl-2-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthrene (CID 15285058) is 15-ethylsulfanyl-2-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthrene.
What is the SMILES notation for 15-ethylsulfanyl-2-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthrene?
The canonical SMILES for 15-ethylsulfanyl-2-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthrene is CCSC1CCc2ccc3c(ccc4ccc(OC)cc43)c21.
What is the InChIKey of 15-ethylsulfanyl-2-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthrene?
The InChIKey is QQXOHCQVECNNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20OS/c1-3-22-19-11-7-14-6-9-16-17(20(14)19)10-5-13-4-8-15(21-2)12-18(13)16/h4-6,8-10,12,19H,3,7,11H2,1-2H3.
What are the key properties of 15-ethylsulfanyl-2-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthrene?
15-ethylsulfanyl-2-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthrene has a molecular weight of 308.45 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-ethylsulfanyl-2-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 15285058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).