3-methoxy-11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one

C19H16O2 — CID 10084827

IUPAC3-methoxy-11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one
SMILESCOc1ccc2c(ccc3c4c(cc(C)c32)C(=O)CC4)c1
InChIInChI=1S/C19H16O2/c1-11-9-17-15(7-8-18(17)20)16-5-3-12-10-13(21-2)4-6-14(12)19(11)16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyVKYPMKIYIGPJQT-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.44
Rot. Bonds1

About 3-methoxy-11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one

3-methoxy-11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one (PubChem CID 10084827) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-methoxy-11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one.

Molecular Properties

Compound Name3-methoxy-11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one
PubChem CID10084827
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name3-methoxy-11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one
SMILESCOc1ccc2c(ccc3c4c(cc(C)c32)C(=O)CC4)c1
InChIInChI=1S/C19H16O2/c1-11-9-17-15(7-8-18(17)20)16-5-3-12-10-13(21-2)4-6-14(12)19(11)16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyVKYPMKIYIGPJQT-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.44
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

5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one
CID 15573852
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
1,6-bis(4-methoxyphenyl)-3-methyl-4,5-dihydropyrene
CID 89207555
7-methoxy-3-methyl-1,2-dihydrobenzo[e]phosphindole 3-oxide
CID 12500022
(13S)-3-methoxy-11,12,13,17-tetrahydrocyclopenta[a]phenanthren-16-one
CID 98511136
5-(4-methoxyphenyl)-2,3-dihydroinden-1-one
CID 11149112
(13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one
CID 57376665
2,6-dimethoxy-1-methylnaphthalene
CID 68950467
2,3,4,7-tetramethoxyphenanthrene
CID 11437978
3-methoxy-8-nitrobenzo[c]phenanthrene
CID 10709540
(13S,17S)-17-hydroxy-3-methoxy-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthrene-15-carboxylic acid
CID 101287778
7,17-dimethoxy-12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene
CID 135231094

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one?
The IUPAC name of 3-methoxy-11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one (CID 10084827) is 3-methoxy-11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one.
What is the SMILES notation for 3-methoxy-11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one?
The canonical SMILES for 3-methoxy-11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one is COc1ccc2c(ccc3c4c(cc(C)c32)C(=O)CC4)c1.
What is the InChIKey of 3-methoxy-11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one?
The InChIKey is VKYPMKIYIGPJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-11-9-17-15(7-8-18(17)20)16-5-3-12-10-13(21-2)4-6-14(12)19(11)16/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 3-methoxy-11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one?
3-methoxy-11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one has a molecular weight of 276.34 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one is sourced from PubChem (CID 10084827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).