11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene-16,17-diol

C18H16O2 — CID 53463158

IUPAC11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene-16,17-diol
SMILESCc1cc2c(c3ccc4ccccc4c13)CC(O)C2O
InChIInChI=1S/C18H16O2/c1-10-8-15-14(9-16(19)18(15)20)13-7-6-11-4-2-3-5-12(11)17(10)13/h2-8,16,18-20H,9H2,1H3
InChIKeyREZHGDZPAPULAX-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.25
Rot. Bonds

About 11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene-16,17-diol

11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene-16,17-diol (PubChem CID 53463158) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene-16,17-diol.

Molecular Properties

Compound Name11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene-16,17-diol
PubChem CID53463158
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene-16,17-diol
SMILESCc1cc2c(c3ccc4ccccc4c13)CC(O)C2O
InChIInChI=1S/C18H16O2/c1-10-8-15-14(9-16(19)18(15)20)13-7-6-11-4-2-3-5-12(11)17(10)13/h2-8,16,18-20H,9H2,1H3
InChIKeyREZHGDZPAPULAX-UHFFFAOYSA-N
XLogP3.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,3R,4S)-3-bromo-11-methyl-1,2,3,4-tetrahydrochrysene-1,2,4-triol
CID 23254026
(3S,5R,6S,7R)-10-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
CID 23254024
(7R,8R,9R)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol
CID 5287739
11,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthren-17-ylium
CID 15498399
(8S,9S)-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol
CID 54071625
10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 24939091
1,3,4-trimethylphenanthrene
CID 53421592
(2R,3S,4R)-1,2,3,4-tetrahydrobenzo[a]anthracene-2,3,4-triol
CID 5326482
(4S,5S)-3-methyl-1,2,4,5-tetrahydrobenzo[j]aceanthrylene-4,5-diol
CID 56612001
11-methylnaphtho[1,2-h]isoquinoline
CID 134973288
(3S,5R,6S,7R)-19-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
CID 23254023
5-methylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3(8),4,6,9,12,14,16,19,21,23,25-tridecaene
CID 11057003

Frequently Asked Questions

What is the IUPAC name of 11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene-16,17-diol?
The IUPAC name of 11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene-16,17-diol (CID 53463158) is 11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene-16,17-diol.
What is the SMILES notation for 11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene-16,17-diol?
The canonical SMILES for 11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene-16,17-diol is Cc1cc2c(c3ccc4ccccc4c13)CC(O)C2O.
What is the InChIKey of 11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene-16,17-diol?
The InChIKey is REZHGDZPAPULAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-10-8-15-14(9-16(19)18(15)20)13-7-6-11-4-2-3-5-12(11)17(10)13/h2-8,16,18-20H,9H2,1H3.
What are the key properties of 11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene-16,17-diol?
11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene-16,17-diol has a molecular weight of 264.32 g/mol, XLogP of 3.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene-16,17-diol is sourced from PubChem (CID 53463158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).