1-(2-methoxypropyl)-4-(4-methylphenyl)benzene

C17H20O — CID 145316433

IUPAC1-(2-methoxypropyl)-4-(4-methylphenyl)benzene
SMILESCOC(C)Cc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20O/c1-13-4-8-16(9-5-13)17-10-6-15(7-11-17)12-14(2)18-3/h4-11,14H,12H2,1-3H3
InChIKeyCLYYEFMYMIVCPN-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.24
Rot. Bonds4

About 1-(2-methoxypropyl)-4-(4-methylphenyl)benzene

1-(2-methoxypropyl)-4-(4-methylphenyl)benzene (PubChem CID 145316433) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2-methoxypropyl)-4-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-(2-methoxypropyl)-4-(4-methylphenyl)benzene
PubChem CID145316433
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-(2-methoxypropyl)-4-(4-methylphenyl)benzene
SMILESCOC(C)Cc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20O/c1-13-4-8-16(9-5-13)17-10-6-15(7-11-17)12-14(2)18-3/h4-11,14H,12H2,1-3H3
InChIKeyCLYYEFMYMIVCPN-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
1-(2-hydroperoxypropyl)-4-[4-(2-hydroperoxypropyl)phenyl]benzene
CID 19009371
4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 113382938
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
3-[4-(2-methoxypropyl)phenyl]propan-1-amine
CID 117296745
methyl 4-(2-methoxypropyl)benzoate
CID 57294671
1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene
CID 20641212
1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene
CID 67328041
[4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol
CID 124567142
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251
1-[2-bromo-2-(4-methoxyphenyl)ethyl]-4-methylbenzene
CID 63437164
2-amino-2-[4-(2-methoxypropyl)phenyl]acetic acid
CID 117319672

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropyl)-4-(4-methylphenyl)benzene?
The IUPAC name of 1-(2-methoxypropyl)-4-(4-methylphenyl)benzene (CID 145316433) is 1-(2-methoxypropyl)-4-(4-methylphenyl)benzene.
What is the SMILES notation for 1-(2-methoxypropyl)-4-(4-methylphenyl)benzene?
The canonical SMILES for 1-(2-methoxypropyl)-4-(4-methylphenyl)benzene is COC(C)Cc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(2-methoxypropyl)-4-(4-methylphenyl)benzene?
The InChIKey is CLYYEFMYMIVCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-13-4-8-16(9-5-13)17-10-6-15(7-11-17)12-14(2)18-3/h4-11,14H,12H2,1-3H3.
What are the key properties of 1-(2-methoxypropyl)-4-(4-methylphenyl)benzene?
1-(2-methoxypropyl)-4-(4-methylphenyl)benzene has a molecular weight of 240.35 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropyl)-4-(4-methylphenyl)benzene is sourced from PubChem (CID 145316433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).