[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene

C22H28O2 — CID 100982245

IUPAC[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
SMILESc1ccc(COCC2CCC(COCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28O2/c1-3-7-19(8-4-1)15-23-17-21-11-13-22(14-12-21)18-24-16-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2
InChIKeyKYEAUGSSKHJJEV-UHFFFAOYSA-N
MW324.46 g/mol
LogP5.23
Rot. Bonds8

About [4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene

[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene (PubChem CID 100982245) has the molecular formula C22H28O2 and a molecular weight of 324.46 g/mol. Its IUPAC name is [4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene.

Molecular Properties

Compound Name[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
PubChem CID100982245
Molecular FormulaC22H28O2
Molecular Weight324.46 g/mol
Exact Mass324.21
IUPAC Name[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
SMILESc1ccc(COCC2CCC(COCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28O2/c1-3-7-19(8-4-1)15-23-17-21-11-13-22(14-12-21)18-24-16-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2
InChIKeyKYEAUGSSKHJJEV-UHFFFAOYSA-N
XLogP5.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
1-(cyclopropylmethoxymethyl)-4-phenylbenzene
CID 59259711
cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine
CID 86659751
5-(phenylmethoxymethyl)cyclooctan-1-one
CID 10900938
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
4-(phenylmethoxymethyl)oxepane
CID 151980287
1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene
CID 125465491
[4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene
CID 89289517
3-(phenylmethoxymethyl)cyclobutan-1-one
CID 11819850
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide
CID 68767831

Frequently Asked Questions

What is the IUPAC name of [4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene?
The IUPAC name of [4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene (CID 100982245) is [4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene.
What is the SMILES notation for [4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene?
The canonical SMILES for [4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene is c1ccc(COCC2CCC(COCc3ccccc3)CC2)cc1.
What is the InChIKey of [4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene?
The InChIKey is KYEAUGSSKHJJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2/c1-3-7-19(8-4-1)15-23-17-21-11-13-22(14-12-21)18-24-16-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2.
What are the key properties of [4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene?
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene has a molecular weight of 324.46 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene is sourced from PubChem (CID 100982245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).