(4-butyl-3-methoxyphenyl)-methoxymethanol

C13H20O3 — CID 143067809

IUPAC(4-butyl-3-methoxyphenyl)-methoxymethanol
SMILESCCCCc1ccc(C(O)OC)cc1OC
InChIInChI=1S/C13H20O3/c1-4-5-6-10-7-8-11(13(14)16-3)9-12(10)15-2/h7-9,13-14H,4-6H2,1-3H3
InChIKeyZFSNQHHPKMWDRN-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.68
Rot. Bonds6

About (4-butyl-3-methoxyphenyl)-methoxymethanol

(4-butyl-3-methoxyphenyl)-methoxymethanol (PubChem CID 143067809) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (4-butyl-3-methoxyphenyl)-methoxymethanol.

Molecular Properties

Compound Name(4-butyl-3-methoxyphenyl)-methoxymethanol
PubChem CID143067809
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(4-butyl-3-methoxyphenyl)-methoxymethanol
SMILESCCCCc1ccc(C(O)OC)cc1OC
InChIInChI=1S/C13H20O3/c1-4-5-6-10-7-8-11(13(14)16-3)9-12(10)15-2/h7-9,13-14H,4-6H2,1-3H3
InChIKeyZFSNQHHPKMWDRN-UHFFFAOYSA-N
XLogP2.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4-butyl-3-methoxyphenyl)-isoquinolin-1-ylmethanol
CID 59715624
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
(5-butyl-4-methoxy-2-pyridinyl)-phenylmethanol
CID 54398419
bis(4-butoxy-3-methoxyphenyl)methanol
CID 71114416
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
4-(1-hydroxyheptyl)-2-methoxyphenol
CID 14035097
1-(4-methoxy-3-pentoxyphenyl)ethanol
CID 91655145
1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine
CID 112513250
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958
1-(4-chloro-3-methoxyphenyl)octan-1-ol
CID 79697126

Frequently Asked Questions

What is the IUPAC name of (4-butyl-3-methoxyphenyl)-methoxymethanol?
The IUPAC name of (4-butyl-3-methoxyphenyl)-methoxymethanol (CID 143067809) is (4-butyl-3-methoxyphenyl)-methoxymethanol.
What is the SMILES notation for (4-butyl-3-methoxyphenyl)-methoxymethanol?
The canonical SMILES for (4-butyl-3-methoxyphenyl)-methoxymethanol is CCCCc1ccc(C(O)OC)cc1OC.
What is the InChIKey of (4-butyl-3-methoxyphenyl)-methoxymethanol?
The InChIKey is ZFSNQHHPKMWDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-5-6-10-7-8-11(13(14)16-3)9-12(10)15-2/h7-9,13-14H,4-6H2,1-3H3.
What are the key properties of (4-butyl-3-methoxyphenyl)-methoxymethanol?
(4-butyl-3-methoxyphenyl)-methoxymethanol has a molecular weight of 224.30 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butyl-3-methoxyphenyl)-methoxymethanol is sourced from PubChem (CID 143067809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).