[4-(3-methylbutoxy)phenyl] formate

C12H16O3 — CID 54338269

IUPAC[4-(3-methylbutoxy)phenyl] formate
SMILESCC(C)CCOc1ccc(OC=O)cc1
InChIInChI=1S/C12H16O3/c1-10(2)7-8-14-11-3-5-12(6-4-11)15-9-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyDMFZOUKTTMASRU-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.65
Rot. Bonds6

About [4-(3-methylbutoxy)phenyl] formate

[4-(3-methylbutoxy)phenyl] formate (PubChem CID 54338269) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is [4-(3-methylbutoxy)phenyl] formate.

Molecular Properties

Compound Name[4-(3-methylbutoxy)phenyl] formate
PubChem CID54338269
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name[4-(3-methylbutoxy)phenyl] formate
SMILESCC(C)CCOc1ccc(OC=O)cc1
InChIInChI=1S/C12H16O3/c1-10(2)7-8-14-11-3-5-12(6-4-11)15-9-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyDMFZOUKTTMASRU-UHFFFAOYSA-N
XLogP2.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-decoxyphenyl) formate
CID 54244817
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
methyl-[4-(3-methylbutoxy)phenyl]iodanium
CID 168795737
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
4-(3-methylbutoxy)benzenesulfonyl fluoride
CID 165461294
2-ethyl-4-(3-methylbutoxy)benzaldehyde
CID 175816667
2-[4-(3-methylbutoxy)phenyl]acetate
CID 6947053
(E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol
CID 70597845
1-(3-methylbutoxy)-4-[4-(2-methylpropyl)phenyl]benzene
CID 169289853
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
3-[4-(3-methylbutoxy)phenyl]propanoic acid
CID 167220539
2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide
CID 4732908

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbutoxy)phenyl] formate?
The IUPAC name of [4-(3-methylbutoxy)phenyl] formate (CID 54338269) is [4-(3-methylbutoxy)phenyl] formate.
What is the SMILES notation for [4-(3-methylbutoxy)phenyl] formate?
The canonical SMILES for [4-(3-methylbutoxy)phenyl] formate is CC(C)CCOc1ccc(OC=O)cc1.
What is the InChIKey of [4-(3-methylbutoxy)phenyl] formate?
The InChIKey is DMFZOUKTTMASRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-10(2)7-8-14-11-3-5-12(6-4-11)15-9-13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of [4-(3-methylbutoxy)phenyl] formate?
[4-(3-methylbutoxy)phenyl] formate has a molecular weight of 208.26 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbutoxy)phenyl] formate is sourced from PubChem (CID 54338269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).