(1R,3R,4S,5S)-4-hydroxy-3-methyl-1-phenylbicyclo[3.2.1]octan-8-one

C15H18O2 — CID 138980990

IUPAC(1R,3R,4S,5S)-4-hydroxy-3-methyl-1-phenylbicyclo[3.2.1]octan-8-one
SMILESC[C@@H]1C[C@@]2(c3ccccc3)CC[C@H](C2=O)[C@H]1O
InChIInChI=1S/C15H18O2/c1-10-9-15(11-5-3-2-4-6-11)8-7-12(13(10)16)14(15)17/h2-6,10,12-13,16H,7-9H2,1H3/t10-,12+,13+,15-/m1/s1
InChIKeySYZXFHAFNMJCPO-GVUJHPQVSA-N
MW230.31 g/mol
LogP2.30
Rot. Bonds1

About (1R,3R,4S,5S)-4-hydroxy-3-methyl-1-phenylbicyclo[3.2.1]octan-8-one

(1R,3R,4S,5S)-4-hydroxy-3-methyl-1-phenylbicyclo[3.2.1]octan-8-one (PubChem CID 138980990) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (1R,3R,4S,5S)-4-hydroxy-3-methyl-1-phenylbicyclo[3.2.1]octan-8-one.

Molecular Properties

Compound Name(1R,3R,4S,5S)-4-hydroxy-3-methyl-1-phenylbicyclo[3.2.1]octan-8-one
PubChem CID138980990
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(1R,3R,4S,5S)-4-hydroxy-3-methyl-1-phenylbicyclo[3.2.1]octan-8-one
SMILESC[C@@H]1C[C@@]2(c3ccccc3)CC[C@H](C2=O)[C@H]1O
InChIInChI=1S/C15H18O2/c1-10-9-15(11-5-3-2-4-6-11)8-7-12(13(10)16)14(15)17/h2-6,10,12-13,16H,7-9H2,1H3/t10-,12+,13+,15-/m1/s1
InChIKeySYZXFHAFNMJCPO-GVUJHPQVSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,3R,4S,5S)-4-hydroxy-3-methyl-1-phenylbicyclo[3.2.1]octan-8-one with MolForge

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Related Compounds

1-[1-(1-Hydroxy-butyl)-cyclopentyl]-2-phenyl-ethanone
CID 550224
1-[1-(1-Hydroxybutyl)cyclohexyl]-2-phenylethanone
CID 557979
trans-(3R,5R)-3-hydroxy-5-phenylcyclohexan-1-one
CID 13216003
(2R,5R,10S)-10-hydroxy-2-phenylspiro[4.5]decane-4,9-dione
CID 139254968
(1S,12S,13S)-12-hydroxy-13-methyltetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6,9-tetraen-8-one
CID 15818525
(1S,10R,12S,13S)-12-hydroxy-13-methyltetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6-trien-8-one
CID 15818527
4-Hydroxy-3-[2-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]bicyclo[3.2.1]octan-2-one
CID 91558492
5-(4-Fluorophenyl)-3-hydroxy-2,2-dimethylcyclohexan-1-one
CID 155676405
(2R)-2-[(1S)-1-hydroxyethyl]-2-phenylcycloheptan-1-one
CID 11322220
(2R)-2-[(1R)-1-hydroxyethyl]-2-phenylcycloheptan-1-one
CID 12012979
2-(1-Hydroxy-3-phenylpropyl)-6-methylcyclohexan-1-one
CID 14737831
(1R,3aR,4S,7aR)-4-benzyl-1-hydroxy-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-5-one
CID 71696963

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S,5S)-4-hydroxy-3-methyl-1-phenylbicyclo[3.2.1]octan-8-one?
The IUPAC name of (1R,3R,4S,5S)-4-hydroxy-3-methyl-1-phenylbicyclo[3.2.1]octan-8-one (CID 138980990) is (1R,3R,4S,5S)-4-hydroxy-3-methyl-1-phenylbicyclo[3.2.1]octan-8-one.
What is the SMILES notation for (1R,3R,4S,5S)-4-hydroxy-3-methyl-1-phenylbicyclo[3.2.1]octan-8-one?
The canonical SMILES for (1R,3R,4S,5S)-4-hydroxy-3-methyl-1-phenylbicyclo[3.2.1]octan-8-one is C[C@@H]1C[C@@]2(c3ccccc3)CC[C@H](C2=O)[C@H]1O.
What is the InChIKey of (1R,3R,4S,5S)-4-hydroxy-3-methyl-1-phenylbicyclo[3.2.1]octan-8-one?
The InChIKey is SYZXFHAFNMJCPO-GVUJHPQVSA-N. The full InChI is InChI=1S/C15H18O2/c1-10-9-15(11-5-3-2-4-6-11)8-7-12(13(10)16)14(15)17/h2-6,10,12-13,16H,7-9H2,1H3/t10-,12+,13+,15-/m1/s1.
What are the key properties of (1R,3R,4S,5S)-4-hydroxy-3-methyl-1-phenylbicyclo[3.2.1]octan-8-one?
(1R,3R,4S,5S)-4-hydroxy-3-methyl-1-phenylbicyclo[3.2.1]octan-8-one has a molecular weight of 230.31 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S,5S)-4-hydroxy-3-methyl-1-phenylbicyclo[3.2.1]octan-8-one is sourced from PubChem (CID 138980990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).