1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene

C39H37NO2 — CID 158309551

IUPAC1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene
SMILESCc1ccc(-c2ccccc2)cc1.Cc1ccc(Oc2ccccc2)cc1.Cc1cccc(OCc2ccncc2)c1
InChIInChI=1S/C13H13NO.C13H12O.C13H12/c1-11-3-2-4-13(9-11)15-10-12-5-7-14-8-6-12;1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-9H,10H2,1H3;2-10H,1H3;2-10H,1H3
InChIKeyGNMWTNUCUZMVDP-UHFFFAOYSA-N
MW551.73 g/mol
LogP10.42
Rot. Bonds6

About 1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene

1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene (PubChem CID 158309551) has the molecular formula C39H37NO2 and a molecular weight of 551.73 g/mol. Its IUPAC name is 1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene.

Molecular Properties

Compound Name1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene
PubChem CID158309551
Molecular FormulaC39H37NO2
Molecular Weight551.73 g/mol
Exact Mass551.28
IUPAC Name1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene
SMILESCc1ccc(-c2ccccc2)cc1.Cc1ccc(Oc2ccccc2)cc1.Cc1cccc(OCc2ccncc2)c1
InChIInChI=1S/C13H13NO.C13H12O.C13H12/c1-11-3-2-4-13(9-11)15-10-12-5-7-14-8-6-12;1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-9H,10H2,1H3;2-10H,1H3;2-10H,1H3
InChIKeyGNMWTNUCUZMVDP-UHFFFAOYSA-N
XLogP10.42
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.73
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
4-[2-(3-methylphenoxy)ethyl]pyridine
CID 64765282
4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine
CID 23399976
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
4-[(3-methylphenoxy)methyl]aniline
CID 16789694
1-iodo-4-[(3-methylphenoxy)methyl]benzene
CID 65490135
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene
CID 142829586
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene
CID 59734480
2-(3-methylphenyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110655626

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene?
The IUPAC name of 1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene (CID 158309551) is 1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene.
What is the SMILES notation for 1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene?
The canonical SMILES for 1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene is Cc1ccc(-c2ccccc2)cc1.Cc1ccc(Oc2ccccc2)cc1.Cc1cccc(OCc2ccncc2)c1.
What is the InChIKey of 1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene?
The InChIKey is GNMWTNUCUZMVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.C13H12O.C13H12/c1-11-3-2-4-13(9-11)15-10-12-5-7-14-8-6-12;1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-9H,10H2,1H3;2-10H,1H3;2-10H,1H3.
What are the key properties of 1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene?
1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene has a molecular weight of 551.73 g/mol, XLogP of 10.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene is sourced from PubChem (CID 158309551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).