4,5-dimethyl-1-phenoxynaphthalene

C18H16O — CID 54090938

IUPAC4,5-dimethyl-1-phenoxynaphthalene
SMILESCc1cccc2c(Oc3ccccc3)ccc(C)c12
InChIInChI=1S/C18H16O/c1-13-7-6-10-16-17(12-11-14(2)18(13)16)19-15-8-4-3-5-9-15/h3-12H,1-2H3
InChIKeyMTUHRVMRNYCHQV-UHFFFAOYSA-N
MW248.32 g/mol
LogP5.25
Rot. Bonds2

About 4,5-dimethyl-1-phenoxynaphthalene

4,5-dimethyl-1-phenoxynaphthalene (PubChem CID 54090938) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is 4,5-dimethyl-1-phenoxynaphthalene.

Molecular Properties

Compound Name4,5-dimethyl-1-phenoxynaphthalene
PubChem CID54090938
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name4,5-dimethyl-1-phenoxynaphthalene
SMILESCc1cccc2c(Oc3ccccc3)ccc(C)c12
InChIInChI=1S/C18H16O/c1-13-7-6-10-16-17(12-11-14(2)18(13)16)19-15-8-4-3-5-9-15/h3-12H,1-2H3
InChIKeyMTUHRVMRNYCHQV-UHFFFAOYSA-N
XLogP5.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.32
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,5-dimethylnaphthalen-2-yl)oxy-4,5-dimethylnaphthalene
CID 20767474
3-iodo-1,2-dimethyl-4-phenoxybenzene
CID 139655770
ethane;1-methyl-2-phenoxybenzene
CID 90950955
9,10-dibutyl-1-(9,10-dibutyl-2-phenoxyanthracen-1-yl)oxy-2-phenoxyanthracene
CID 138558551
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
(2-methyl-6-phenoxyphenyl) acetate
CID 163299035
1-(4-methylphenyl)-4-phenoxynaphthalene
CID 174669549
1,3-dimethoxy-2-methyl-4-phenoxybenzene
CID 22071605
3-methyl-7-phenoxy-1-benzothiophene
CID 23543487
N,N,2-trimethyl-6-phenoxyaniline
CID 91549486
ethane;1-methoxy-3-methyl-2-phenoxybenzene
CID 155714526
1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
CID 146547657

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-phenoxynaphthalene?
The IUPAC name of 4,5-dimethyl-1-phenoxynaphthalene (CID 54090938) is 4,5-dimethyl-1-phenoxynaphthalene.
What is the SMILES notation for 4,5-dimethyl-1-phenoxynaphthalene?
The canonical SMILES for 4,5-dimethyl-1-phenoxynaphthalene is Cc1cccc2c(Oc3ccccc3)ccc(C)c12.
What is the InChIKey of 4,5-dimethyl-1-phenoxynaphthalene?
The InChIKey is MTUHRVMRNYCHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c1-13-7-6-10-16-17(12-11-14(2)18(13)16)19-15-8-4-3-5-9-15/h3-12H,1-2H3.
What are the key properties of 4,5-dimethyl-1-phenoxynaphthalene?
4,5-dimethyl-1-phenoxynaphthalene has a molecular weight of 248.32 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-phenoxynaphthalene is sourced from PubChem (CID 54090938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).