1,3-dimethyl-5-(phenylmethoxymethoxy)benzene

C16H18O2 — CID 102940828

IUPAC1,3-dimethyl-5-(phenylmethoxymethoxy)benzene
SMILESCc1cc(C)cc(OCOCc2ccccc2)c1
InChIInChI=1S/C16H18O2/c1-13-8-14(2)10-16(9-13)18-12-17-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3
InChIKeyCQOXHVPOOWUQMK-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.86
Rot. Bonds5

About 1,3-dimethyl-5-(phenylmethoxymethoxy)benzene

1,3-dimethyl-5-(phenylmethoxymethoxy)benzene (PubChem CID 102940828) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-(phenylmethoxymethoxy)benzene.

Molecular Properties

Compound Name1,3-dimethyl-5-(phenylmethoxymethoxy)benzene
PubChem CID102940828
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name1,3-dimethyl-5-(phenylmethoxymethoxy)benzene
SMILESCc1cc(C)cc(OCOCc2ccccc2)c1
InChIInChI=1S/C16H18O2/c1-13-8-14(2)10-16(9-13)18-12-17-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3
InChIKeyCQOXHVPOOWUQMK-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
3,5-dimethyl-4-(phenylmethoxymethoxy)aniline
CID 102939316
3,5-dimethyl-2-(phenylmethoxymethoxy)aniline
CID 102939310
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
[3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanol
CID 102939888
[3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine
CID 102939558
2-(bromomethyl)-4-methyl-1-(phenylmethoxymethoxy)benzene
CID 102939941
1-[3-(phenylmethoxymethoxy)phenyl]ethanol
CID 102939820
1-ethenyl-4-(phenylmethoxymethoxy)benzene
CID 54554930
4-(phenylmethoxymethoxy)benzoic acid
CID 102939337
1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-3-[[3-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-5-[[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-[(3-methyl-5-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-(bromomethyl)benzene
CID 58661558
(1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine
CID 102939494

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(phenylmethoxymethoxy)benzene?
The IUPAC name of 1,3-dimethyl-5-(phenylmethoxymethoxy)benzene (CID 102940828) is 1,3-dimethyl-5-(phenylmethoxymethoxy)benzene.
What is the SMILES notation for 1,3-dimethyl-5-(phenylmethoxymethoxy)benzene?
The canonical SMILES for 1,3-dimethyl-5-(phenylmethoxymethoxy)benzene is Cc1cc(C)cc(OCOCc2ccccc2)c1.
What is the InChIKey of 1,3-dimethyl-5-(phenylmethoxymethoxy)benzene?
The InChIKey is CQOXHVPOOWUQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-13-8-14(2)10-16(9-13)18-12-17-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(phenylmethoxymethoxy)benzene?
1,3-dimethyl-5-(phenylmethoxymethoxy)benzene has a molecular weight of 242.32 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(phenylmethoxymethoxy)benzene is sourced from PubChem (CID 102940828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).