[4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol

C15H24O4 — CID 61484214

IUPAC[4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol
SMILESCOc1ccc(CO)cc1OCCOCCC(C)C
InChIInChI=1S/C15H24O4/c1-12(2)6-7-18-8-9-19-15-10-13(11-16)4-5-14(15)17-3/h4-5,10,12,16H,6-9,11H2,1-3H3
InChIKeyLPYKRHCSDUMKJX-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.63
Rot. Bonds9

About [4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol

[4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol (PubChem CID 61484214) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is [4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol
PubChem CID61484214
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name[4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol
SMILESCOc1ccc(CO)cc1OCCOCCC(C)C
InChIInChI=1S/C15H24O4/c1-12(2)6-7-18-8-9-19-15-10-13(11-16)4-5-14(15)17-3/h4-5,10,12,16H,6-9,11H2,1-3H3
InChIKeyLPYKRHCSDUMKJX-UHFFFAOYSA-N
XLogP2.63
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol
CID 61071627
4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane
CID 66731296
N-[[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 61484060
1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine
CID 61484059
[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol
CID 61035977
2-bromo-4-methoxy-1-[2-(3-methylbutoxy)ethoxy]benzene
CID 104707260
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol
CID 54958038
5-(bromomethyl)-1,3-dimethoxy-2-[2-(3-methylbutoxy)ethoxy]benzene
CID 61484428
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 61483916
N-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449790
5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide
CID 114281672

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol?
The IUPAC name of [4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol (CID 61484214) is [4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol.
What is the SMILES notation for [4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol?
The canonical SMILES for [4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol is COc1ccc(CO)cc1OCCOCCC(C)C.
What is the InChIKey of [4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol?
The InChIKey is LPYKRHCSDUMKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-12(2)6-7-18-8-9-19-15-10-13(11-16)4-5-14(15)17-3/h4-5,10,12,16H,6-9,11H2,1-3H3.
What are the key properties of [4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol?
[4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol has a molecular weight of 268.35 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol is sourced from PubChem (CID 61484214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).