4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol

C18H22O — CID 162497681

IUPAC4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol
SMILESCc1ccc(CCCc2ccc(O)c(C)c2)cc1C
InChIInChI=1S/C18H22O/c1-13-7-8-16(11-14(13)2)5-4-6-17-9-10-18(19)15(3)12-17/h7-12,19H,4-6H2,1-3H3
InChIKeyCRXSVEMCFKQLIX-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.49
Rot. Bonds4

About 4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol

4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol (PubChem CID 162497681) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol.

Molecular Properties

Compound Name4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol
PubChem CID162497681
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol
SMILESCc1ccc(CCCc2ccc(O)c(C)c2)cc1C
InChIInChI=1S/C18H22O/c1-13-7-8-16(11-14(13)2)5-4-6-17-9-10-18(19)15(3)12-17/h7-12,19H,4-6H2,1-3H3
InChIKeyCRXSVEMCFKQLIX-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-butyl-2-methylphenol
CID 10964856
2-methyl-4-octadecylphenol
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CID 140580608
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CID 69492073
2-methyl-4-(6-methylheptyl)phenol
CID 154140199
4-(2-methoxyethyl)-2-methylphenol
CID 19977526
4-(4-aminoheptyl)-2-methylphenol
CID 83922946
4-butyl-2-methylphenol;methyl dihydrogen phosphite
CID 174305201
1,2-dimethyl-4-octylbenzene
CID 14044616
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655
2-methyl-4-[3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propyl]phenol
CID 90951023
1,2-dimethyl-4-(6-phenylhexyl)benzene
CID 123294821

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol?
The IUPAC name of 4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol (CID 162497681) is 4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol.
What is the SMILES notation for 4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol?
The canonical SMILES for 4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol is Cc1ccc(CCCc2ccc(O)c(C)c2)cc1C.
What is the InChIKey of 4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol?
The InChIKey is CRXSVEMCFKQLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-13-7-8-16(11-14(13)2)5-4-6-17-9-10-18(19)15(3)12-17/h7-12,19H,4-6H2,1-3H3.
What are the key properties of 4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol?
4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol has a molecular weight of 254.37 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol is sourced from PubChem (CID 162497681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).