trans-(4R,5R)-4,5-diphenylcycloheptan-1-one

C19H20O — CID 58293688

IUPACtrans-(4R,5R)-4,5-diphenylcycloheptan-1-one
SMILESO=C1CC[C@@H](c2ccccc2)[C@H](c2ccccc2)CC1
InChIInChI=1S/C19H20O/c20-17-11-13-18(15-7-3-1-4-8-15)19(14-12-17)16-9-5-2-6-10-16/h1-10,18-19H,11-14H2/t18-,19-/m0/s1
InChIKeyIWUJPYIFYYGCOL-OALUTQOASA-N
MW264.37 g/mol
LogP4.70
Rot. Bonds2

About trans-(4R,5R)-4,5-diphenylcycloheptan-1-one

trans-(4R,5R)-4,5-diphenylcycloheptan-1-one (PubChem CID 58293688) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is trans-(4R,5R)-4,5-diphenylcycloheptan-1-one.

Molecular Properties

Compound Nametrans-(4R,5R)-4,5-diphenylcycloheptan-1-one
PubChem CID58293688
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Nametrans-(4R,5R)-4,5-diphenylcycloheptan-1-one
SMILESO=C1CC[C@@H](c2ccccc2)[C@H](c2ccccc2)CC1
InChIInChI=1S/C19H20O/c20-17-11-13-18(15-7-3-1-4-8-15)19(14-12-17)16-9-5-2-6-10-16/h1-10,18-19H,11-14H2/t18-,19-/m0/s1
InChIKeyIWUJPYIFYYGCOL-OALUTQOASA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-oxo-2-phenylcyclohexane-1-carbaldehyde
CID 86204280
3,4-diphenylcycloheptan-1-one;ethane
CID 123156806
2-methyl-3-phenylcyclopentan-1-one
CID 12573116
ethane;methanol;4-phenylcyclohexan-1-one
CID 91076562
(5S,6R)-5,6-diphenylpiperidin-2-one
CID 67807202
(5S,6R)-6-methyl-5-phenylpiperidin-2-one
CID 134491126
6-methyl-4-phenylcyclodec-5-en-1-one
CID 91670765
4-benzoyl-3-phenylcyclohexan-1-one
CID 14273389
(1R,8S)-1-phenyl-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione
CID 54515458
2-(benzenesulfonyl)-3-phenylcyclopentan-1-one
CID 73191675
N-(3,4-diphenylcyclohexylidene)hydroxylamine
CID 76744086
N-[(3R,4R)-3,4-diphenylcyclohexylidene]hydroxylamine
CID 152768456

Frequently Asked Questions

What is the IUPAC name of trans-(4R,5R)-4,5-diphenylcycloheptan-1-one?
The IUPAC name of trans-(4R,5R)-4,5-diphenylcycloheptan-1-one (CID 58293688) is trans-(4R,5R)-4,5-diphenylcycloheptan-1-one.
What is the SMILES notation for trans-(4R,5R)-4,5-diphenylcycloheptan-1-one?
The canonical SMILES for trans-(4R,5R)-4,5-diphenylcycloheptan-1-one is O=C1CC[C@@H](c2ccccc2)[C@H](c2ccccc2)CC1.
What is the InChIKey of trans-(4R,5R)-4,5-diphenylcycloheptan-1-one?
The InChIKey is IWUJPYIFYYGCOL-OALUTQOASA-N. The full InChI is InChI=1S/C19H20O/c20-17-11-13-18(15-7-3-1-4-8-15)19(14-12-17)16-9-5-2-6-10-16/h1-10,18-19H,11-14H2/t18-,19-/m0/s1.
What are the key properties of trans-(4R,5R)-4,5-diphenylcycloheptan-1-one?
trans-(4R,5R)-4,5-diphenylcycloheptan-1-one has a molecular weight of 264.37 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(4R,5R)-4,5-diphenylcycloheptan-1-one is sourced from PubChem (CID 58293688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).