1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene

C19H22O2 — CID 125465491

IUPAC1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene
SMILESc1ccc(COc2ccc(COCC3CCC3)cc2)cc1
InChIInChI=1S/C19H22O2/c1-2-5-17(6-3-1)15-21-19-11-9-18(10-12-19)14-20-13-16-7-4-8-16/h1-3,5-6,9-12,16H,4,7-8,13-15H2
InChIKeyVMRWQAMZWWHHHS-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.58
Rot. Bonds7

About 1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene

1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene (PubChem CID 125465491) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene
PubChem CID125465491
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene
SMILESc1ccc(COc2ccc(COCC3CCC3)cc2)cc1
InChIInChI=1S/C19H22O2/c1-2-5-17(6-3-1)15-21-19-11-9-18(10-12-19)14-20-13-16-7-4-8-16/h1-3,5-6,9-12,16H,4,7-8,13-15H2
InChIKeyVMRWQAMZWWHHHS-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene
CID 11514697
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
5-(phenylmethoxymethyl)cyclooctan-1-one
CID 10900938
4-(phenylmethoxymethyl)oxepane
CID 151980287
1-(cyclopropylmethoxymethyl)-4-phenylbenzene
CID 59259711
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine
CID 18969682
4-(cyclopentylmethoxymethyl)benzonitrile
CID 66323484
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
3-(phenylmethoxymethyl)cyclohexane-1-carbothioamide
CID 166694250
1-(cyclobutylmethyl)-2-[(4-phenylmethoxyphenyl)methyl]guanidine;hydroiodide
CID 111047621

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene?
The IUPAC name of 1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene (CID 125465491) is 1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene.
What is the SMILES notation for 1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene?
The canonical SMILES for 1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene is c1ccc(COc2ccc(COCC3CCC3)cc2)cc1.
What is the InChIKey of 1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene?
The InChIKey is VMRWQAMZWWHHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-2-5-17(6-3-1)15-21-19-11-9-18(10-12-19)14-20-13-16-7-4-8-16/h1-3,5-6,9-12,16H,4,7-8,13-15H2.
What are the key properties of 1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene?
1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene has a molecular weight of 282.38 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene is sourced from PubChem (CID 125465491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).