2-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-one

C21H24O2 — CID 82185908

IUPAC2-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-one
SMILESCc1ccc(COc2ccc(CC3CCCCC3=O)cc2)cc1
InChIInChI=1S/C21H24O2/c1-16-6-8-18(9-7-16)15-23-20-12-10-17(11-13-20)14-19-4-2-3-5-21(19)22/h6-13,19H,2-5,14-15H2,1H3
InChIKeyPDMPQNYDZVFIGU-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.88
Rot. Bonds5

About 2-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-one

2-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-one (PubChem CID 82185908) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-one
PubChem CID82185908
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name2-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-one
SMILESCc1ccc(COc2ccc(CC3CCCCC3=O)cc2)cc1
InChIInChI=1S/C21H24O2/c1-16-6-8-18(9-7-16)15-23-20-12-10-17(11-13-20)14-19-4-2-3-5-21(19)22/h6-13,19H,2-5,14-15H2,1H3
InChIKeyPDMPQNYDZVFIGU-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one
CID 82185910
2-[(4-methylphenyl)methyl]cyclopentan-1-one
CID 18714737
2-[(4-pentoxyphenyl)methyl]cyclohexan-1-one
CID 82185917
2-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one
CID 82185916
2-[(4-methoxyphenyl)methyl]cyclopentan-1-one
CID 11790327
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
2-[[4-(2-phenoxypropoxy)phenyl]methyl]cyclohexan-1-one
CID 11724709
1-methoxy-3-methylbenzene;2-[(3-methoxyphenyl)methyl]cyclohexan-1-one
CID 145337501
(2S)-2-[(3-methoxyphenyl)methyl]cyclohexan-1-one
CID 57106440
4-[(2-oxocyclohexyl)methyl]benzamide
CID 18698705
2-(4-methylphenoxy)cyclohexan-1-one
CID 10965621
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-one (CID 82185908) is 2-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-one is Cc1ccc(COc2ccc(CC3CCCCC3=O)cc2)cc1.
What is the InChIKey of 2-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-one?
The InChIKey is PDMPQNYDZVFIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-16-6-8-18(9-7-16)15-23-20-12-10-17(11-13-20)14-19-4-2-3-5-21(19)22/h6-13,19H,2-5,14-15H2,1H3.
What are the key properties of 2-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-one?
2-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-one has a molecular weight of 308.42 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-one is sourced from PubChem (CID 82185908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).