1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol

C18H22O3 — CID 83951053

IUPAC1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol
SMILESCCCC(O)c1cccc(OC)c1OCc1ccccc1
InChIInChI=1S/C18H22O3/c1-3-8-16(19)15-11-7-12-17(20-2)18(15)21-13-14-9-5-4-6-10-14/h4-7,9-12,16,19H,3,8,13H2,1-2H3
InChIKeyAZAAAPMSFNPHMR-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.11
Rot. Bonds7

About 1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol

1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol (PubChem CID 83951053) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol
PubChem CID83951053
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol
SMILESCCCC(O)c1cccc(OC)c1OCc1ccccc1
InChIInChI=1S/C18H22O3/c1-3-8-16(19)15-11-7-12-17(20-2)18(15)21-13-14-9-5-4-6-10-14/h4-7,9-12,16,19H,3,8,13H2,1-2H3
InChIKeyAZAAAPMSFNPHMR-UHFFFAOYSA-N
XLogP4.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 83951052
(2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol
CID 66515873
1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol
CID 83951248
(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol
CID 124562849
2-(2-methoxyphenyl)-1-(3-phenyl-2-phenylmethoxyphenyl)ethanol
CID 67151271
1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 83951061
1-(2-amino-3-methoxyphenyl)butan-1-ol
CID 105449196
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921
2-bromo-5-methoxy-1-phenylmethoxynaphthalene
CID 10904008
1-(2-benzylphenyl)butan-1-ol
CID 101274232
3-methoxy-2-phenylmethoxybenzoyl chloride
CID 22736875

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol?
The IUPAC name of 1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol (CID 83951053) is 1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol.
What is the SMILES notation for 1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol?
The canonical SMILES for 1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol is CCCC(O)c1cccc(OC)c1OCc1ccccc1.
What is the InChIKey of 1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol?
The InChIKey is AZAAAPMSFNPHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-3-8-16(19)15-11-7-12-17(20-2)18(15)21-13-14-9-5-4-6-10-14/h4-7,9-12,16,19H,3,8,13H2,1-2H3.
What are the key properties of 1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol?
1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol has a molecular weight of 286.37 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol is sourced from PubChem (CID 83951053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).