1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene

C25H22O — CID 142960457

IUPAC1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene
SMILESCc1ccc(Cc2ccc(Oc3ccc(C)c4ccccc34)cc2)cc1
InChIInChI=1S/C25H22O/c1-18-7-10-20(11-8-18)17-21-12-14-22(15-13-21)26-25-16-9-19(2)23-5-3-4-6-24(23)25/h3-16H,17H2,1-2H3
InChIKeyJQCQNWGOXRJPHD-UHFFFAOYSA-N
MW338.45 g/mol
LogP6.84
Rot. Bonds4

About 1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene

1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene (PubChem CID 142960457) has the molecular formula C25H22O and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene.

Molecular Properties

Compound Name1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene
PubChem CID142960457
Molecular FormulaC25H22O
Molecular Weight338.45 g/mol
Exact Mass338.17
IUPAC Name1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene
SMILESCc1ccc(Cc2ccc(Oc3ccc(C)c4ccccc34)cc2)cc1
InChIInChI=1S/C25H22O/c1-18-7-10-20(11-8-18)17-21-12-14-22(15-13-21)26-25-16-9-19(2)23-5-3-4-6-24(23)25/h3-16H,17H2,1-2H3
InChIKeyJQCQNWGOXRJPHD-UHFFFAOYSA-N
XLogP6.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-bis(4-methylphenoxy)naphthalene;methane
CID 159940982
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
[4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
CID 59847042
1-(4-methylphenyl)-4-phenoxynaphthalene
CID 174669549
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
4-[4-[(4-methylphenyl)methyl]phenoxy]-3-phenylphenol
CID 143612086
1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
CID 146547657
1-methyl-5-[(4-methylphenyl)methyl]naphthalene
CID 18684384
[3-methyl-4-(4-methylphenoxy)phenyl]methanamine
CID 55025691
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
1-benzyl-4-methylbenzene;toluene
CID 144690555
4,5-dimethyl-1-phenoxynaphthalene
CID 54090938

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene?
The IUPAC name of 1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene (CID 142960457) is 1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene.
What is the SMILES notation for 1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene?
The canonical SMILES for 1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene is Cc1ccc(Cc2ccc(Oc3ccc(C)c4ccccc34)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene?
The InChIKey is JQCQNWGOXRJPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O/c1-18-7-10-20(11-8-18)17-21-12-14-22(15-13-21)26-25-16-9-19(2)23-5-3-4-6-24(23)25/h3-16H,17H2,1-2H3.
What are the key properties of 1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene?
1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene has a molecular weight of 338.45 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene is sourced from PubChem (CID 142960457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).