butyl (3-hydroxy-4-methoxyphenyl) carbonate

C12H16O5 — CID 54183003

IUPACbutyl (3-hydroxy-4-methoxyphenyl) carbonate
SMILESCCCCOC(=O)Oc1ccc(OC)c(O)c1
InChIInChI=1S/C12H16O5/c1-3-4-7-16-12(14)17-9-5-6-11(15-2)10(13)8-9/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyPDECRFQTVSWUKW-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.72
Rot. Bonds5

About butyl (3-hydroxy-4-methoxyphenyl) carbonate

butyl (3-hydroxy-4-methoxyphenyl) carbonate (PubChem CID 54183003) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is butyl (3-hydroxy-4-methoxyphenyl) carbonate.

Molecular Properties

Compound Namebutyl (3-hydroxy-4-methoxyphenyl) carbonate
PubChem CID54183003
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Namebutyl (3-hydroxy-4-methoxyphenyl) carbonate
SMILESCCCCOC(=O)Oc1ccc(OC)c(O)c1
InChIInChI=1S/C12H16O5/c1-3-4-7-16-12(14)17-9-5-6-11(15-2)10(13)8-9/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyPDECRFQTVSWUKW-UHFFFAOYSA-N
XLogP2.72
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 3-hydroxy-4-methoxybenzoate
CID 79556295
(3-hydroxy-4-methoxyphenyl) (2-hydroxyphenyl) carbonate
CID 54293633
(3-hydroxy-4-methoxyphenyl) 1,3-thiazol-5-ylmethyl carbonate
CID 54436622
[5-(6-butoxycarbonyloxy-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalen-2-yl] butyl carbonate
CID 118121817
hexyl 3-hydroxy-4-methoxybenzoate
CID 3035997
(4-aminophenyl) decyl carbonate
CID 139745082
butyl (4-decylphenyl) carbonate
CID 118690266
tetracosyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
CID 162869680
[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenyl] octyl carbonate
CID 158677029
(4-decylphenyl) heptyl carbonate
CID 118690290
4-dodecoxycarbonyloxybenzoic acid
CID 54565697
4-butoxy-2-methoxyphenol
CID 53249740

Frequently Asked Questions

What is the IUPAC name of butyl (3-hydroxy-4-methoxyphenyl) carbonate?
The IUPAC name of butyl (3-hydroxy-4-methoxyphenyl) carbonate (CID 54183003) is butyl (3-hydroxy-4-methoxyphenyl) carbonate.
What is the SMILES notation for butyl (3-hydroxy-4-methoxyphenyl) carbonate?
The canonical SMILES for butyl (3-hydroxy-4-methoxyphenyl) carbonate is CCCCOC(=O)Oc1ccc(OC)c(O)c1.
What is the InChIKey of butyl (3-hydroxy-4-methoxyphenyl) carbonate?
The InChIKey is PDECRFQTVSWUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-3-4-7-16-12(14)17-9-5-6-11(15-2)10(13)8-9/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of butyl (3-hydroxy-4-methoxyphenyl) carbonate?
butyl (3-hydroxy-4-methoxyphenyl) carbonate has a molecular weight of 240.25 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (3-hydroxy-4-methoxyphenyl) carbonate is sourced from PubChem (CID 54183003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).