1-[(2,5-dimethylphenoxy)methyl]naphthalene

C19H18O — CID 78906369

IUPAC1-[(2,5-dimethylphenoxy)methyl]naphthalene
SMILESCc1ccc(C)c(OCc2cccc3ccccc23)c1
InChIInChI=1S/C19H18O/c1-14-10-11-15(2)19(12-14)20-13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12H,13H2,1-2H3
InChIKeyYXRXGNAOGSKVLD-UHFFFAOYSA-N
MW262.35 g/mol
LogP5.04
Rot. Bonds3

About 1-[(2,5-dimethylphenoxy)methyl]naphthalene

1-[(2,5-dimethylphenoxy)methyl]naphthalene (PubChem CID 78906369) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenoxy)methyl]naphthalene.

Molecular Properties

Compound Name1-[(2,5-dimethylphenoxy)methyl]naphthalene
PubChem CID78906369
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name1-[(2,5-dimethylphenoxy)methyl]naphthalene
SMILESCc1ccc(C)c(OCc2cccc3ccccc23)c1
InChIInChI=1S/C19H18O/c1-14-10-11-15(2)19(12-14)20-13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12H,13H2,1-2H3
InChIKeyYXRXGNAOGSKVLD-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.35
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene
CID 63536076
2-[[2-(bromomethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 90113514
2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 90113511
[3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114032
N-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline
CID 126125999
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
1-[(2-chloro-4-methylphenyl)methoxy]naphthalene
CID 106870276
2-[[2-(dipropoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 67069161
N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452512
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-oxoacetate
CID 11141051
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide
CID 18357808
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide
CID 67121861

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenoxy)methyl]naphthalene?
The IUPAC name of 1-[(2,5-dimethylphenoxy)methyl]naphthalene (CID 78906369) is 1-[(2,5-dimethylphenoxy)methyl]naphthalene.
What is the SMILES notation for 1-[(2,5-dimethylphenoxy)methyl]naphthalene?
The canonical SMILES for 1-[(2,5-dimethylphenoxy)methyl]naphthalene is Cc1ccc(C)c(OCc2cccc3ccccc23)c1.
What is the InChIKey of 1-[(2,5-dimethylphenoxy)methyl]naphthalene?
The InChIKey is YXRXGNAOGSKVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-14-10-11-15(2)19(12-14)20-13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12H,13H2,1-2H3.
What are the key properties of 1-[(2,5-dimethylphenoxy)methyl]naphthalene?
1-[(2,5-dimethylphenoxy)methyl]naphthalene has a molecular weight of 262.35 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenoxy)methyl]naphthalene is sourced from PubChem (CID 78906369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).