1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene

C18H22O3 — CID 58914302

IUPAC1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene
SMILESCC(C)OCCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H22O3/c1-15(2)19-12-13-20-17-8-10-18(11-9-17)21-14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3
InChIKeyZBSVUJAFYSLFNI-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.07
Rot. Bonds8

About 1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene

1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene (PubChem CID 58914302) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene.

Molecular Properties

Compound Name1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene
PubChem CID58914302
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene
SMILESCC(C)OCCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H22O3/c1-15(2)19-12-13-20-17-8-10-18(11-9-17)21-14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3
InChIKeyZBSVUJAFYSLFNI-UHFFFAOYSA-N
XLogP4.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-[4-(2-propan-2-yloxyethoxy)phenyl]sulfanium
CID 59584286
1-phenylmethoxy-4-propoxybenzene
CID 10728874
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
CID 60643723
1-(3-methyl-1-propan-2-yloxybutan-2-yl)-4-phenylmethoxybenzene
CID 58499092
3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 13338480
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene
CID 153498414
1-(2-methoxypropoxy)-4-phenylmethoxybenzene
CID 174203616
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-ethyl-4-[[4-(propan-2-yloxymethyl)phenoxy]methyl]benzene
CID 142493435
1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43189064

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene?
The IUPAC name of 1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene (CID 58914302) is 1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene.
What is the SMILES notation for 1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene?
The canonical SMILES for 1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene is CC(C)OCCOc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene?
The InChIKey is ZBSVUJAFYSLFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-15(2)19-12-13-20-17-8-10-18(11-9-17)21-14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3.
What are the key properties of 1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene?
1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene has a molecular weight of 286.37 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene is sourced from PubChem (CID 58914302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).