2-methoxy-1-methyl-4-(1-phenylethyl)benzene

C16H18O — CID 57234669

IUPAC2-methoxy-1-methyl-4-(1-phenylethyl)benzene
SMILESCOc1cc(C(C)c2ccccc2)ccc1C
InChIInChI=1S/C16H18O/c1-12-9-10-15(11-16(12)17-3)13(2)14-7-5-4-6-8-14/h4-11,13H,1-3H3
InChIKeyIILBVUNXZZGBOG-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.16
Rot. Bonds3

About 2-methoxy-1-methyl-4-(1-phenylethyl)benzene

2-methoxy-1-methyl-4-(1-phenylethyl)benzene (PubChem CID 57234669) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methoxy-1-methyl-4-(1-phenylethyl)benzene.

Molecular Properties

Compound Name2-methoxy-1-methyl-4-(1-phenylethyl)benzene
PubChem CID57234669
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name2-methoxy-1-methyl-4-(1-phenylethyl)benzene
SMILESCOc1cc(C(C)c2ccccc2)ccc1C
InChIInChI=1S/C16H18O/c1-12-9-10-15(11-16(12)17-3)13(2)14-7-5-4-6-8-14/h4-11,13H,1-3H3
InChIKeyIILBVUNXZZGBOG-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-4-[[(3-methoxy-4-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]-1-methylbenzene
CID 156695520
N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine
CID 43489086
1,2-dimethoxy-4-[1-(4-methylphenyl)ethyl]benzene
CID 57200665
(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
CID 118199604
(1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine
CID 130934760
2,4-dimethoxy-1-methylbenzene;ethane;1-phenoxy-4-propan-2-ylbenzene
CID 143595124
1-phenylethylbenzene
CID 142851428
(3S)-3-(3-methoxy-4-methylphenyl)butan-2-one
CID 143900211
(1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 131536439
2-[2-(2-methoxyphenoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283991
(1R)-1-(3-methoxy-4-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171205480
3-(3-methoxy-4-methylphenyl)butan-1-ol
CID 72978410

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methyl-4-(1-phenylethyl)benzene?
The IUPAC name of 2-methoxy-1-methyl-4-(1-phenylethyl)benzene (CID 57234669) is 2-methoxy-1-methyl-4-(1-phenylethyl)benzene.
What is the SMILES notation for 2-methoxy-1-methyl-4-(1-phenylethyl)benzene?
The canonical SMILES for 2-methoxy-1-methyl-4-(1-phenylethyl)benzene is COc1cc(C(C)c2ccccc2)ccc1C.
What is the InChIKey of 2-methoxy-1-methyl-4-(1-phenylethyl)benzene?
The InChIKey is IILBVUNXZZGBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-12-9-10-15(11-16(12)17-3)13(2)14-7-5-4-6-8-14/h4-11,13H,1-3H3.
What are the key properties of 2-methoxy-1-methyl-4-(1-phenylethyl)benzene?
2-methoxy-1-methyl-4-(1-phenylethyl)benzene has a molecular weight of 226.32 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methyl-4-(1-phenylethyl)benzene is sourced from PubChem (CID 57234669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).