1-(3-butoxy-4-methoxyphenyl)butan-1-ol

C15H24O3 — CID 83951524

IUPAC1-(3-butoxy-4-methoxyphenyl)butan-1-ol
SMILESCCCCOc1cc(C(O)CCC)ccc1OC
InChIInChI=1S/C15H24O3/c1-4-6-10-18-15-11-12(13(16)7-5-2)8-9-14(15)17-3/h8-9,11,13,16H,4-7,10H2,1-3H3
InChIKeyCRDWQNVPUGRQFW-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.71
Rot. Bonds8

About 1-(3-butoxy-4-methoxyphenyl)butan-1-ol

1-(3-butoxy-4-methoxyphenyl)butan-1-ol (PubChem CID 83951524) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-(3-butoxy-4-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name1-(3-butoxy-4-methoxyphenyl)butan-1-ol
PubChem CID83951524
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-(3-butoxy-4-methoxyphenyl)butan-1-ol
SMILESCCCCOc1cc(C(O)CCC)ccc1OC
InChIInChI=1S/C15H24O3/c1-4-6-10-18-15-11-12(13(16)7-5-2)8-9-14(15)17-3/h8-9,11,13,16H,4-7,10H2,1-3H3
InChIKeyCRDWQNVPUGRQFW-UHFFFAOYSA-N
XLogP3.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-butoxy-3-ethoxyphenyl)butan-1-ol
CID 83952160
1-(3,4-dipentoxyphenyl)pentan-1-ol
CID 54470953
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol
CID 83951248
1-(4-methoxy-3-pentoxyphenyl)ethanol
CID 91655145
bis(4-butoxy-3-methoxyphenyl)methanol
CID 71114416
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
(1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 93189097
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
(3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol
CID 140923051
5-(1-hydroxydodecyl)-2-methoxyphenol
CID 139789005

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxy-4-methoxyphenyl)butan-1-ol?
The IUPAC name of 1-(3-butoxy-4-methoxyphenyl)butan-1-ol (CID 83951524) is 1-(3-butoxy-4-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 1-(3-butoxy-4-methoxyphenyl)butan-1-ol?
The canonical SMILES for 1-(3-butoxy-4-methoxyphenyl)butan-1-ol is CCCCOc1cc(C(O)CCC)ccc1OC.
What is the InChIKey of 1-(3-butoxy-4-methoxyphenyl)butan-1-ol?
The InChIKey is CRDWQNVPUGRQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-4-6-10-18-15-11-12(13(16)7-5-2)8-9-14(15)17-3/h8-9,11,13,16H,4-7,10H2,1-3H3.
What are the key properties of 1-(3-butoxy-4-methoxyphenyl)butan-1-ol?
1-(3-butoxy-4-methoxyphenyl)butan-1-ol has a molecular weight of 252.35 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxy-4-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 83951524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).