1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene

C19H22O2 — CID 11514697

IUPAC1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene
SMILESc1ccc(COc2ccc(CCOCC3CC3)cc2)cc1
InChIInChI=1S/C19H22O2/c1-2-4-17(5-3-1)15-21-19-10-8-16(9-11-19)12-13-20-14-18-6-7-18/h1-5,8-11,18H,6-7,12-15H2
InChIKeyMJXKOFSFYPVTSI-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.23
Rot. Bonds8

About 1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene

1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene (PubChem CID 11514697) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene
PubChem CID11514697
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene
SMILESc1ccc(COc2ccc(CCOCC3CC3)cc2)cc1
InChIInChI=1S/C19H22O2/c1-2-4-17(5-3-1)15-21-19-10-8-16(9-11-19)12-13-20-14-18-6-7-18/h1-5,8-11,18H,6-7,12-15H2
InChIKeyMJXKOFSFYPVTSI-UHFFFAOYSA-N
XLogP4.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene
CID 125465491
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
3-[3-(4-phenylmethoxyphenyl)propoxymethyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 70078502
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene
CID 54112131
4-[2-(cyclopropylmethoxy)ethyl]benzoic acid
CID 67025841
1-[2-(2,2-diethoxyethoxy)ethyl]-4-phenylmethoxybenzene
CID 132531282
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
1-(cyclopropylmethoxymethyl)-4-phenylbenzene
CID 59259711
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
3-(2-methoxyethoxymethyl)-N'-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111745472

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene?
The IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene (CID 11514697) is 1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene is c1ccc(COc2ccc(CCOCC3CC3)cc2)cc1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene?
The InChIKey is MJXKOFSFYPVTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-2-4-17(5-3-1)15-21-19-10-8-16(9-11-19)12-13-20-14-18-6-7-18/h1-5,8-11,18H,6-7,12-15H2.
What are the key properties of 1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene?
1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene has a molecular weight of 282.38 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene is sourced from PubChem (CID 11514697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).