(4R)-4-(2-phenylmethoxyethyl)cyclohex-2-en-1-one

C15H18O2 — CID 132584785

IUPAC(4R)-4-(2-phenylmethoxyethyl)cyclohex-2-en-1-one
SMILESO=C1C=C[C@@H](CCOCc2ccccc2)CC1
InChIInChI=1S/C15H18O2/c16-15-8-6-13(7-9-15)10-11-17-12-14-4-2-1-3-5-14/h1-6,8,13H,7,9-12H2/t13-/m1/s1
InChIKeyVHEOARPAQYSFEC-CYBMUJFWSA-N
MW230.31 g/mol
LogP3.13
Rot. Bonds5

About (4R)-4-(2-phenylmethoxyethyl)cyclohex-2-en-1-one

(4R)-4-(2-phenylmethoxyethyl)cyclohex-2-en-1-one (PubChem CID 132584785) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (4R)-4-(2-phenylmethoxyethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-(2-phenylmethoxyethyl)cyclohex-2-en-1-one
PubChem CID132584785
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(4R)-4-(2-phenylmethoxyethyl)cyclohex-2-en-1-one
SMILESO=C1C=C[C@@H](CCOCc2ccccc2)CC1
InChIInChI=1S/C15H18O2/c16-15-8-6-13(7-9-15)10-11-17-12-14-4-2-1-3-5-14/h1-6,8,13H,7,9-12H2/t13-/m1/s1
InChIKeyVHEOARPAQYSFEC-CYBMUJFWSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-phenylmethoxyethyl)cyclohex-2-en-1-one?
The IUPAC name of (4R)-4-(2-phenylmethoxyethyl)cyclohex-2-en-1-one (CID 132584785) is (4R)-4-(2-phenylmethoxyethyl)cyclohex-2-en-1-one.
What is the SMILES notation for (4R)-4-(2-phenylmethoxyethyl)cyclohex-2-en-1-one?
The canonical SMILES for (4R)-4-(2-phenylmethoxyethyl)cyclohex-2-en-1-one is O=C1C=C[C@@H](CCOCc2ccccc2)CC1.
What is the InChIKey of (4R)-4-(2-phenylmethoxyethyl)cyclohex-2-en-1-one?
The InChIKey is VHEOARPAQYSFEC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18O2/c16-15-8-6-13(7-9-15)10-11-17-12-14-4-2-1-3-5-14/h1-6,8,13H,7,9-12H2/t13-/m1/s1.
What are the key properties of (4R)-4-(2-phenylmethoxyethyl)cyclohex-2-en-1-one?
(4R)-4-(2-phenylmethoxyethyl)cyclohex-2-en-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-phenylmethoxyethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 132584785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).