1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol

C18H22O3 — CID 83951248

IUPAC1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol
SMILESCCCC(O)c1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C18H22O3/c1-3-7-16(19)15-10-11-17(20-2)18(12-15)21-13-14-8-5-4-6-9-14/h4-6,8-12,16,19H,3,7,13H2,1-2H3
InChIKeyISZZUGMPHMSUIQ-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.11
Rot. Bonds7

About 1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol

1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol (PubChem CID 83951248) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol
PubChem CID83951248
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol
SMILESCCCC(O)c1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C18H22O3/c1-3-7-16(19)15-10-11-17(20-2)18(12-15)21-13-14-8-5-4-6-9-14/h4-6,8-12,16,19H,3,7,13H2,1-2H3
InChIKeyISZZUGMPHMSUIQ-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-chloro-4-phenylmethoxyphenyl)butan-1-ol
CID 83952820
1-(3-butoxy-4-methoxyphenyl)butan-1-ol
CID 83951524
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171212991
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171212993
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
CID 171213002
[acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate
CID 101183057
(1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol
CID 171264853
(S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol
CID 129384165
4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene
CID 42625428

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol?
The IUPAC name of 1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol (CID 83951248) is 1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol.
What is the SMILES notation for 1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol?
The canonical SMILES for 1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol is CCCC(O)c1ccc(OC)c(OCc2ccccc2)c1.
What is the InChIKey of 1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol?
The InChIKey is ISZZUGMPHMSUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-3-7-16(19)15-10-11-17(20-2)18(12-15)21-13-14-8-5-4-6-9-14/h4-6,8-12,16,19H,3,7,13H2,1-2H3.
What are the key properties of 1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol?
1-(4-methoxy-3-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-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol is sourced from PubChem (CID 83951248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).