4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol

C23H26O3 — CID 159469456

IUPAC4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol
SMILESCOCc1ccc(C)c(OCc2ccccc2)c1.OCc1ccccc1
InChIInChI=1S/C16H18O2.C7H8O/c1-13-8-9-15(11-17-2)10-16(13)18-12-14-6-4-3-5-7-14;8-6-7-4-2-1-3-5-7/h3-10H,11-12H2,1-2H3;1-5,8H,6H2
InChIKeyLVPQOVWXDHMRQT-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.90
Rot. Bonds6

About 4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol

4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol (PubChem CID 159469456) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol.

Molecular Properties

Compound Name4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol
PubChem CID159469456
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol
SMILESCOCc1ccc(C)c(OCc2ccccc2)c1.OCc1ccccc1
InChIInChI=1S/C16H18O2.C7H8O/c1-13-8-9-15(11-17-2)10-16(13)18-12-14-6-4-3-5-7-14;8-6-7-4-2-1-3-5-7/h3-10H,11-12H2,1-2H3;1-5,8H,6H2
InChIKeyLVPQOVWXDHMRQT-UHFFFAOYSA-N
XLogP4.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-3-phenylmethoxyphenyl)ethanol
CID 117358003
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
[3-(2-methoxyethoxy)-4-methylphenyl]methanol
CID 118408450
(4-chloro-3-phenylmethoxyphenyl)methanol
CID 66724752
dimethoxy-(4-methyl-3-phenylmethoxyphenyl)borane
CID 174065392
ethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate
CID 144719358
2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone
CID 117391400
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
(3-phenyl-4-phenylmethoxyphenyl)methanol
CID 164896135
methoxymethylbenzene;vanadium
CID 167445376
methoxymethylbenzene;silane
CID 174277199

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol?
The IUPAC name of 4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol (CID 159469456) is 4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol.
What is the SMILES notation for 4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol?
The canonical SMILES for 4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol is COCc1ccc(C)c(OCc2ccccc2)c1.OCc1ccccc1.
What is the InChIKey of 4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol?
The InChIKey is LVPQOVWXDHMRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2.C7H8O/c1-13-8-9-15(11-17-2)10-16(13)18-12-14-6-4-3-5-7-14;8-6-7-4-2-1-3-5-7/h3-10H,11-12H2,1-2H3;1-5,8H,6H2.
What are the key properties of 4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol?
4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol has a molecular weight of 350.46 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol is sourced from PubChem (CID 159469456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).