(14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol

C20H36O — CID 156740925

IUPAC(14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol
SMILESC1CCC2C(C1)CCC1C2CCC2CCC[C@H]21.CC(C)O
InChIInChI=1S/C17H28.C3H8O/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17;1-3(2)4/h12-17H,1-11H2;3-4H,1-2H3/t12?,13?,14?,15-,16?,17?;/m1./s1
InChIKeyNZJYBQKCCPDHME-WOYOSRQRSA-N
MW292.51 g/mol
LogP5.42
Rot. Bonds

About (14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol

(14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol (PubChem CID 156740925) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is (14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol.

Molecular Properties

Compound Name(14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol
PubChem CID156740925
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name(14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol
SMILESC1CCC2C(C1)CCC1C2CCC2CCC[C@H]21.CC(C)O
InChIInChI=1S/C17H28.C3H8O/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17;1-3(2)4/h12-17H,1-11H2;3-4H,1-2H3/t12?,13?,14?,15-,16?,17?;/m1./s1
InChIKeyNZJYBQKCCPDHME-WOYOSRQRSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol with MolForge

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Related Compounds

(8S,9R,13S)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 145133460
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol
CID 141104109
(2-cyclopropylcyclobutyl)cyclopentane
CID 54374966
[(8S,9R,10S,13R,14S)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl]methanediol
CID 56979425
2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-ol
CID 143022557
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane
CID 159429380
(6S)-6,7-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 91056108
tetracyclo[9.7.0.03,8.012,16]octadecane
CID 140868120
ethene;(5R,9S,10S,14R)-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen;propan-2-ol
CID 176554336
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-2-ol
CID 77359827
3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 20683773
(8S,9R,10S,13S,14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 57368410

Frequently Asked Questions

What is the IUPAC name of (14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol?
The IUPAC name of (14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol (CID 156740925) is (14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol.
What is the SMILES notation for (14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol?
The canonical SMILES for (14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol is C1CCC2C(C1)CCC1C2CCC2CCC[C@H]21.CC(C)O.
What is the InChIKey of (14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol?
The InChIKey is NZJYBQKCCPDHME-WOYOSRQRSA-N. The full InChI is InChI=1S/C17H28.C3H8O/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17;1-3(2)4/h12-17H,1-11H2;3-4H,1-2H3/t12?,13?,14?,15-,16?,17?;/m1./s1.
What are the key properties of (14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol?
(14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol has a molecular weight of 292.51 g/mol, XLogP of 5.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol is sourced from PubChem (CID 156740925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).