(5R)-2-methyl-5-(phenylmethoxymethyl)cyclohex-2-en-1-one

C15H18O2 — CID 11447565

IUPAC(5R)-2-methyl-5-(phenylmethoxymethyl)cyclohex-2-en-1-one
SMILESCC1=CC[C@@H](COCc2ccccc2)CC1=O
InChIInChI=1S/C15H18O2/c1-12-7-8-14(9-15(12)16)11-17-10-13-5-3-2-4-6-13/h2-7,14H,8-11H2,1H3/t14-/m1/s1
InChIKeySRMJROPTILMMTF-CQSZACIVSA-N
MW230.31 g/mol
LogP3.13
Rot. Bonds4

About (5R)-2-methyl-5-(phenylmethoxymethyl)cyclohex-2-en-1-one

(5R)-2-methyl-5-(phenylmethoxymethyl)cyclohex-2-en-1-one (PubChem CID 11447565) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (5R)-2-methyl-5-(phenylmethoxymethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-2-methyl-5-(phenylmethoxymethyl)cyclohex-2-en-1-one
PubChem CID11447565
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(5R)-2-methyl-5-(phenylmethoxymethyl)cyclohex-2-en-1-one
SMILESCC1=CC[C@@H](COCc2ccccc2)CC1=O
InChIInChI=1S/C15H18O2/c1-12-7-8-14(9-15(12)16)11-17-10-13-5-3-2-4-6-13/h2-7,14H,8-11H2,1H3/t14-/m1/s1
InChIKeySRMJROPTILMMTF-CQSZACIVSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyl-5-(phenylmethoxymethyl)cyclohex-2-en-1-one?
The IUPAC name of (5R)-2-methyl-5-(phenylmethoxymethyl)cyclohex-2-en-1-one (CID 11447565) is (5R)-2-methyl-5-(phenylmethoxymethyl)cyclohex-2-en-1-one.
What is the SMILES notation for (5R)-2-methyl-5-(phenylmethoxymethyl)cyclohex-2-en-1-one?
The canonical SMILES for (5R)-2-methyl-5-(phenylmethoxymethyl)cyclohex-2-en-1-one is CC1=CC[C@@H](COCc2ccccc2)CC1=O.
What is the InChIKey of (5R)-2-methyl-5-(phenylmethoxymethyl)cyclohex-2-en-1-one?
The InChIKey is SRMJROPTILMMTF-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18O2/c1-12-7-8-14(9-15(12)16)11-17-10-13-5-3-2-4-6-13/h2-7,14H,8-11H2,1H3/t14-/m1/s1.
What are the key properties of (5R)-2-methyl-5-(phenylmethoxymethyl)cyclohex-2-en-1-one?
(5R)-2-methyl-5-(phenylmethoxymethyl)cyclohex-2-en-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyl-5-(phenylmethoxymethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 11447565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).