1-methyl-3-(1-phenylethoxy)benzene

C15H16O — CID 64765647

IUPAC1-methyl-3-(1-phenylethoxy)benzene
SMILESCc1cccc(OC(C)c2ccccc2)c1
InChIInChI=1S/C15H16O/c1-12-7-6-10-15(11-12)16-13(2)14-8-4-3-5-9-14/h3-11,13H,1-2H3
InChIKeyFRODFQXVBITMOC-UHFFFAOYSA-N
MW212.29 g/mol
LogP4.14
Rot. Bonds3

About 1-methyl-3-(1-phenylethoxy)benzene

1-methyl-3-(1-phenylethoxy)benzene (PubChem CID 64765647) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-methyl-3-(1-phenylethoxy)benzene.

Molecular Properties

Compound Name1-methyl-3-(1-phenylethoxy)benzene
PubChem CID64765647
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name1-methyl-3-(1-phenylethoxy)benzene
SMILESCc1cccc(OC(C)c2ccccc2)c1
InChIInChI=1S/C15H16O/c1-12-7-6-10-15(11-12)16-13(2)14-8-4-3-5-9-14/h3-11,13H,1-2H3
InChIKeyFRODFQXVBITMOC-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(chloromethyl)-3-(1-phenylethoxy)benzene
CID 175182456
N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 62452895
1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020131
2-methyl-4-[(1S)-1-phenylethoxy]aniline
CID 51684094
N-benzhydryl-2-(3-methylphenoxy)propanamide
CID 15978225
N'-(2,2-diphenylacetyl)-2-(3-methylphenoxy)propanehydrazide
CID 4931348
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605
tris[3-[(1S)-1-phenoxyethyl]phenyl]phosphane
CID 101105292
phenyl (2R)-2-(3-methylphenyl)propanoate
CID 141470933
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
6-[1-(3-methylphenyl)ethoxy]-1H-indole
CID 175599037
4-(1-phenoxyethyl)aniline
CID 61262602

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-phenylethoxy)benzene?
The IUPAC name of 1-methyl-3-(1-phenylethoxy)benzene (CID 64765647) is 1-methyl-3-(1-phenylethoxy)benzene.
What is the SMILES notation for 1-methyl-3-(1-phenylethoxy)benzene?
The canonical SMILES for 1-methyl-3-(1-phenylethoxy)benzene is Cc1cccc(OC(C)c2ccccc2)c1.
What is the InChIKey of 1-methyl-3-(1-phenylethoxy)benzene?
The InChIKey is FRODFQXVBITMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-12-7-6-10-15(11-12)16-13(2)14-8-4-3-5-9-14/h3-11,13H,1-2H3.
What are the key properties of 1-methyl-3-(1-phenylethoxy)benzene?
1-methyl-3-(1-phenylethoxy)benzene has a molecular weight of 212.29 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-phenylethoxy)benzene is sourced from PubChem (CID 64765647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).