4-(2-methoxyphenoxy)butan-1-ol

C11H16O3 — CID 43510003

IUPAC4-(2-methoxyphenoxy)butan-1-ol
SMILESCOc1ccccc1OCCCCO
InChIInChI=1S/C11H16O3/c1-13-10-6-2-3-7-11(10)14-9-5-4-8-12/h2-3,6-7,12H,4-5,8-9H2,1H3
InChIKeyMXTJUZSYGIDRQL-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.85
Rot. Bonds6

About 4-(2-methoxyphenoxy)butan-1-ol

4-(2-methoxyphenoxy)butan-1-ol (PubChem CID 43510003) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)butan-1-ol.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)butan-1-ol
PubChem CID43510003
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4-(2-methoxyphenoxy)butan-1-ol
SMILESCOc1ccccc1OCCCCO
InChIInChI=1S/C11H16O3/c1-13-10-6-2-3-7-11(10)14-9-5-4-8-12/h2-3,6-7,12H,4-5,8-9H2,1H3
InChIKeyMXTJUZSYGIDRQL-UHFFFAOYSA-N
XLogP1.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.85
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

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CID 134880850
1-(4-chlorobutoxy)-2-methoxybenzene
CID 22048718
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132
2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium
CID 2262875
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 63365326
11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 139835438
5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364920
4-[(3-methoxy-2-pyridinyl)oxy]butan-1-ol
CID 57264913
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)butan-1-ol?
The IUPAC name of 4-(2-methoxyphenoxy)butan-1-ol (CID 43510003) is 4-(2-methoxyphenoxy)butan-1-ol.
What is the SMILES notation for 4-(2-methoxyphenoxy)butan-1-ol?
The canonical SMILES for 4-(2-methoxyphenoxy)butan-1-ol is COc1ccccc1OCCCCO.
What is the InChIKey of 4-(2-methoxyphenoxy)butan-1-ol?
The InChIKey is MXTJUZSYGIDRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-13-10-6-2-3-7-11(10)14-9-5-4-8-12/h2-3,6-7,12H,4-5,8-9H2,1H3.
What are the key properties of 4-(2-methoxyphenoxy)butan-1-ol?
4-(2-methoxyphenoxy)butan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)butan-1-ol is sourced from PubChem (CID 43510003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).