[3-(2-butoxyethoxy)phenyl]methanol

C13H20O3 — CID 61483192

IUPAC[3-(2-butoxyethoxy)phenyl]methanol
SMILESCCCCOCCOc1cccc(CO)c1
InChIInChI=1S/C13H20O3/c1-2-3-7-15-8-9-16-13-6-4-5-12(10-13)11-14/h4-6,10,14H,2-3,7-9,11H2,1H3
InChIKeyFEOIOPVJOBICPL-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.37
Rot. Bonds8

About [3-(2-butoxyethoxy)phenyl]methanol

[3-(2-butoxyethoxy)phenyl]methanol (PubChem CID 61483192) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is [3-(2-butoxyethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-(2-butoxyethoxy)phenyl]methanol
PubChem CID61483192
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name[3-(2-butoxyethoxy)phenyl]methanol
SMILESCCCCOCCOc1cccc(CO)c1
InChIInChI=1S/C13H20O3/c1-2-3-7-15-8-9-16-13-6-4-5-12(10-13)11-14/h4-6,10,14H,2-3,7-9,11H2,1H3
InChIKeyFEOIOPVJOBICPL-UHFFFAOYSA-N
XLogP2.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.37
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

1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
[3-(3-chloropropoxy)phenyl]methanol
CID 15724711
1-butyl-3-(3-propoxypropoxy)benzene
CID 54569777
[3-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63675848
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
[3-(3-hexoxypropoxy)phenyl]methanamine
CID 43254403
ethane;[3-(2-fluoroethoxy)phenyl]methanol
CID 144572015
2-(3-octoxyphenyl)ethanol
CID 141227544
1-(3-butoxyphenyl)butan-2-one
CID 82161239

Frequently Asked Questions

What is the IUPAC name of [3-(2-butoxyethoxy)phenyl]methanol?
The IUPAC name of [3-(2-butoxyethoxy)phenyl]methanol (CID 61483192) is [3-(2-butoxyethoxy)phenyl]methanol.
What is the SMILES notation for [3-(2-butoxyethoxy)phenyl]methanol?
The canonical SMILES for [3-(2-butoxyethoxy)phenyl]methanol is CCCCOCCOc1cccc(CO)c1.
What is the InChIKey of [3-(2-butoxyethoxy)phenyl]methanol?
The InChIKey is FEOIOPVJOBICPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-2-3-7-15-8-9-16-13-6-4-5-12(10-13)11-14/h4-6,10,14H,2-3,7-9,11H2,1H3.
What are the key properties of [3-(2-butoxyethoxy)phenyl]methanol?
[3-(2-butoxyethoxy)phenyl]methanol has a molecular weight of 224.30 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-butoxyethoxy)phenyl]methanol is sourced from PubChem (CID 61483192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).