1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol

C18H22O3 — CID 69097467

IUPAC1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol
SMILESCCCC(O)c1cccc(OCc2ccccc2OC)c1
InChIInChI=1S/C18H22O3/c1-3-7-17(19)14-9-6-10-16(12-14)21-13-15-8-4-5-11-18(15)20-2/h4-6,8-12,17,19H,3,7,13H2,1-2H3
InChIKeyYZSBEEFAFPODPO-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.11
Rot. Bonds7

About 1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol

1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol (PubChem CID 69097467) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol.

Molecular Properties

Compound Name1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol
PubChem CID69097467
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol
SMILESCCCC(O)c1cccc(OCc2ccccc2OC)c1
InChIInChI=1S/C18H22O3/c1-3-7-17(19)14-9-6-10-16(12-14)21-13-15-8-4-5-11-18(15)20-2/h4-6,8-12,17,19H,3,7,13H2,1-2H3
InChIKeyYZSBEEFAFPODPO-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

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Related Compounds

1-(3-methoxyphenyl)butan-1-ol
CID 2793894
(1R)-2-[(2-methoxyphenyl)methylamino]-1-(3-phenylmethoxyphenyl)ethanol
CID 46893592
1-ethyl-3-[(2-methoxyphenyl)methoxy]benzene
CID 60656964
(1S)-1-[4-[(2-methoxyphenyl)methoxy]phenyl]ethanol
CID 78930283
(4S)-5-[3-[(2-methoxyphenyl)methoxy]phenyl]-5-oxo-4-phenylpentanoic acid
CID 70225759
1-butyl-3-[(4-chlorophenyl)methoxy]benzene;1-butyl-3-[(2-methoxyphenyl)methoxy]benzene;1-butyl-3-[(4-methylphenyl)methoxy]benzene;2-[(3-butylphenoxy)methyl]-1,3-dichlorobenzene;1-butyl-3-phenylmethoxybenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol;1-(3-phenylmethoxyphenyl)butan-1-ol;1-(3-propoxyphenoxy)pentan-2-ol
CID 159451806
3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol
CID 69097533
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine
CID 58027581
4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol
CID 69097318
(2-methoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894602
1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-propoxybenzene
CID 63543351

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol?
The IUPAC name of 1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol (CID 69097467) is 1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol.
What is the SMILES notation for 1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol?
The canonical SMILES for 1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol is CCCC(O)c1cccc(OCc2ccccc2OC)c1.
What is the InChIKey of 1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol?
The InChIKey is YZSBEEFAFPODPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-3-7-17(19)14-9-6-10-16(12-14)21-13-15-8-4-5-11-18(15)20-2/h4-6,8-12,17,19H,3,7,13H2,1-2H3.
What are the key properties of 1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol?
1-[3-[(2-methoxyphenyl)methoxy]phenyl]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-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol is sourced from PubChem (CID 69097467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).