(4S)-4-phenylmethoxycyclohex-2-en-1-one

C13H14O2 — CID 11401434

IUPAC(4S)-4-phenylmethoxycyclohex-2-en-1-one
SMILESO=C1C=C[C@@H](OCc2ccccc2)CC1
InChIInChI=1S/C13H14O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-6,8,13H,7,9-10H2/t13-/m1/s1
InChIKeyICSXTQLRDWOLLQ-CYBMUJFWSA-N
MW202.25 g/mol
LogP2.49
Rot. Bonds3

About (4S)-4-phenylmethoxycyclohex-2-en-1-one

(4S)-4-phenylmethoxycyclohex-2-en-1-one (PubChem CID 11401434) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (4S)-4-phenylmethoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-phenylmethoxycyclohex-2-en-1-one
PubChem CID11401434
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(4S)-4-phenylmethoxycyclohex-2-en-1-one
SMILESO=C1C=C[C@@H](OCc2ccccc2)CC1
InChIInChI=1S/C13H14O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-6,8,13H,7,9-10H2/t13-/m1/s1
InChIKeyICSXTQLRDWOLLQ-CYBMUJFWSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenylmethoxycyclohex-2-en-1-one?
The IUPAC name of (4S)-4-phenylmethoxycyclohex-2-en-1-one (CID 11401434) is (4S)-4-phenylmethoxycyclohex-2-en-1-one.
What is the SMILES notation for (4S)-4-phenylmethoxycyclohex-2-en-1-one?
The canonical SMILES for (4S)-4-phenylmethoxycyclohex-2-en-1-one is O=C1C=C[C@@H](OCc2ccccc2)CC1.
What is the InChIKey of (4S)-4-phenylmethoxycyclohex-2-en-1-one?
The InChIKey is ICSXTQLRDWOLLQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-6,8,13H,7,9-10H2/t13-/m1/s1.
What are the key properties of (4S)-4-phenylmethoxycyclohex-2-en-1-one?
(4S)-4-phenylmethoxycyclohex-2-en-1-one has a molecular weight of 202.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenylmethoxycyclohex-2-en-1-one is sourced from PubChem (CID 11401434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).