13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol

C18H22O — CID 142815625

IUPAC13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol
SMILESCC12CCCC1C1=C(CC2)c2ccc(O)cc2CC1
InChIInChI=1S/C18H22O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,17,19H,2-4,6,8-10H2,1H3
InChIKeyYEYIIBMGDPDYIH-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.69
Rot. Bonds

About 13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol

13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol (PubChem CID 142815625) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol.

Molecular Properties

Compound Name13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol
PubChem CID142815625
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol
SMILESCC12CCCC1C1=C(CC2)c2ccc(O)cc2CC1
InChIInChI=1S/C18H22O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,17,19H,2-4,6,8-10H2,1H3
InChIKeyYEYIIBMGDPDYIH-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol?
The IUPAC name of 13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol (CID 142815625) is 13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol.
What is the SMILES notation for 13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol?
The canonical SMILES for 13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol is CC12CCCC1C1=C(CC2)c2ccc(O)cc2CC1.
What is the InChIKey of 13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol?
The InChIKey is YEYIIBMGDPDYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,17,19H,2-4,6,8-10H2,1H3.
What are the key properties of 13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol?
13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol has a molecular weight of 254.37 g/mol, XLogP of 4.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 142815625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).