trans-(2S,5R)-2,5-diphenylcyclohexan-1-one

C18H18O — CID 134846189

IUPACtrans-(2S,5R)-2,5-diphenylcyclohexan-1-one
SMILESO=C1C[C@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C18H18O/c19-18-13-16(14-7-3-1-4-8-14)11-12-17(18)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17+/m1/s1
InChIKeyRZUQKDSKSNBEKS-SJORKVTESA-N
MW250.34 g/mol
LogP4.31
Rot. Bonds2

About trans-(2S,5R)-2,5-diphenylcyclohexan-1-one

trans-(2S,5R)-2,5-diphenylcyclohexan-1-one (PubChem CID 134846189) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is trans-(2S,5R)-2,5-diphenylcyclohexan-1-one.

Molecular Properties

Compound Nametrans-(2S,5R)-2,5-diphenylcyclohexan-1-one
PubChem CID134846189
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Nametrans-(2S,5R)-2,5-diphenylcyclohexan-1-one
SMILESO=C1C[C@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C18H18O/c19-18-13-16(14-7-3-1-4-8-14)11-12-17(18)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17+/m1/s1
InChIKeyRZUQKDSKSNBEKS-SJORKVTESA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(2R,4S,7R)-7-methyl-2,4-diphenylcyclooctan-1-one
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(3S,4aS,8aS)-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
CID 124806552
(3R)-3-phenylcyclohexan-1-one
CID 11041212
(8S)-8-phenylcyclodecane-1,3,6-trione
CID 125480091
trans-(2R,4S)-4-ethyl-2-phenylcyclopentan-1-one
CID 134902370
(2-hydroxy-5-phenylcyclohexylidene)methanone
CID 101443556
1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one
CID 24975573
4,4-dimethyl-2-phenylcyclopentan-1-one
CID 11106110
tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one
CID 575764
2-methylidene-5-phenylcyclohexane-1,3-dione
CID 54567672

Frequently Asked Questions

What is the IUPAC name of trans-(2S,5R)-2,5-diphenylcyclohexan-1-one?
The IUPAC name of trans-(2S,5R)-2,5-diphenylcyclohexan-1-one (CID 134846189) is trans-(2S,5R)-2,5-diphenylcyclohexan-1-one.
What is the SMILES notation for trans-(2S,5R)-2,5-diphenylcyclohexan-1-one?
The canonical SMILES for trans-(2S,5R)-2,5-diphenylcyclohexan-1-one is O=C1C[C@H](c2ccccc2)CC[C@H]1c1ccccc1.
What is the InChIKey of trans-(2S,5R)-2,5-diphenylcyclohexan-1-one?
The InChIKey is RZUQKDSKSNBEKS-SJORKVTESA-N. The full InChI is InChI=1S/C18H18O/c19-18-13-16(14-7-3-1-4-8-14)11-12-17(18)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17+/m1/s1.
What are the key properties of trans-(2S,5R)-2,5-diphenylcyclohexan-1-one?
trans-(2S,5R)-2,5-diphenylcyclohexan-1-one has a molecular weight of 250.34 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,5R)-2,5-diphenylcyclohexan-1-one is sourced from PubChem (CID 134846189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).