(4S)-4-(phenylmethoxymethyl)cyclohex-2-en-1-one

C14H16O2 — CID 11622625

IUPAC(4S)-4-(phenylmethoxymethyl)cyclohex-2-en-1-one
SMILESO=C1C=C[C@@H](COCc2ccccc2)CC1
InChIInChI=1S/C14H16O2/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-6,8,13H,7,9-11H2/t13-/m1/s1
InChIKeyWDEXWTYIUMAPOQ-CYBMUJFWSA-N
MW216.28 g/mol
LogP2.74
Rot. Bonds4

About (4S)-4-(phenylmethoxymethyl)cyclohex-2-en-1-one

(4S)-4-(phenylmethoxymethyl)cyclohex-2-en-1-one (PubChem CID 11622625) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (4S)-4-(phenylmethoxymethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-(phenylmethoxymethyl)cyclohex-2-en-1-one
PubChem CID11622625
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(4S)-4-(phenylmethoxymethyl)cyclohex-2-en-1-one
SMILESO=C1C=C[C@@H](COCc2ccccc2)CC1
InChIInChI=1S/C14H16O2/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-6,8,13H,7,9-11H2/t13-/m1/s1
InChIKeyWDEXWTYIUMAPOQ-CYBMUJFWSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(phenylmethoxymethyl)cyclohex-2-en-1-one?
The IUPAC name of (4S)-4-(phenylmethoxymethyl)cyclohex-2-en-1-one (CID 11622625) is (4S)-4-(phenylmethoxymethyl)cyclohex-2-en-1-one.
What is the SMILES notation for (4S)-4-(phenylmethoxymethyl)cyclohex-2-en-1-one?
The canonical SMILES for (4S)-4-(phenylmethoxymethyl)cyclohex-2-en-1-one is O=C1C=C[C@@H](COCc2ccccc2)CC1.
What is the InChIKey of (4S)-4-(phenylmethoxymethyl)cyclohex-2-en-1-one?
The InChIKey is WDEXWTYIUMAPOQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16O2/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-6,8,13H,7,9-11H2/t13-/m1/s1.
What are the key properties of (4S)-4-(phenylmethoxymethyl)cyclohex-2-en-1-one?
(4S)-4-(phenylmethoxymethyl)cyclohex-2-en-1-one has a molecular weight of 216.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(phenylmethoxymethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 11622625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).