(2R)-2-[(1R)-1-hydroxyethyl]-2-phenylcycloheptan-1-one

C15H20O2 — CID 12012979

IUPAC(2R)-2-[(1R)-1-hydroxyethyl]-2-phenylcycloheptan-1-one
SMILESC[C@@H](O)[C@]1(c2ccccc2)CCCCCC1=O
InChIInChI=1S/C15H20O2/c1-12(16)15(13-8-4-2-5-9-13)11-7-3-6-10-14(15)17/h2,4-5,8-9,12,16H,3,6-7,10-11H2,1H3/t12-,15+/m1/s1
InChIKeyZXNQRJKIOIAGIN-DOMZBBRYSA-N
MW232.32 g/mol
LogP2.84
Rot. Bonds2

About (2R)-2-[(1R)-1-hydroxyethyl]-2-phenylcycloheptan-1-one

(2R)-2-[(1R)-1-hydroxyethyl]-2-phenylcycloheptan-1-one (PubChem CID 12012979) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-hydroxyethyl]-2-phenylcycloheptan-1-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-hydroxyethyl]-2-phenylcycloheptan-1-one
PubChem CID12012979
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(2R)-2-[(1R)-1-hydroxyethyl]-2-phenylcycloheptan-1-one
SMILESC[C@@H](O)[C@]1(c2ccccc2)CCCCCC1=O
InChIInChI=1S/C15H20O2/c1-12(16)15(13-8-4-2-5-9-13)11-7-3-6-10-14(15)17/h2,4-5,8-9,12,16H,3,6-7,10-11H2,1H3/t12-,15+/m1/s1
InChIKeyZXNQRJKIOIAGIN-DOMZBBRYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-4-phenylbutan-2-one
CID 6428929
Tropic acid
CID 10726
Methyl 3-hydroxy-2-phenylpropanoate
CID 239086
Dihydroyashabushiketol
CID 10265808
Tropate
CID 5460086
1,13-Dihydroxy-2,2,12-trimethyl-12-phenyltridecan-7-one
CID 11462198
5-Hydroxy-1,7-Diphenylheptan-3-One
CID 562075
2-Ethyl-2-phenylbutyric acid
CID 79594
3-Hydroxy-1-phenylbutan-1-one
CID 10749540
3,3-Dimethyl-2-phenylbutanoic acid
CID 11665557
Tropic acid, (-)-
CID 785356
3-Hydroxy-2,2-diphenylpropionic acid
CID 78192

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-hydroxyethyl]-2-phenylcycloheptan-1-one?
The IUPAC name of (2R)-2-[(1R)-1-hydroxyethyl]-2-phenylcycloheptan-1-one (CID 12012979) is (2R)-2-[(1R)-1-hydroxyethyl]-2-phenylcycloheptan-1-one.
What is the SMILES notation for (2R)-2-[(1R)-1-hydroxyethyl]-2-phenylcycloheptan-1-one?
The canonical SMILES for (2R)-2-[(1R)-1-hydroxyethyl]-2-phenylcycloheptan-1-one is C[C@@H](O)[C@]1(c2ccccc2)CCCCCC1=O.
What is the InChIKey of (2R)-2-[(1R)-1-hydroxyethyl]-2-phenylcycloheptan-1-one?
The InChIKey is ZXNQRJKIOIAGIN-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H20O2/c1-12(16)15(13-8-4-2-5-9-13)11-7-3-6-10-14(15)17/h2,4-5,8-9,12,16H,3,6-7,10-11H2,1H3/t12-,15+/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-hydroxyethyl]-2-phenylcycloheptan-1-one?
(2R)-2-[(1R)-1-hydroxyethyl]-2-phenylcycloheptan-1-one has a molecular weight of 232.32 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-hydroxyethyl]-2-phenylcycloheptan-1-one is sourced from PubChem (CID 12012979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).