(4-hydroxyphenyl) (4-propoxyphenyl) carbonate

C16H16O5 — CID 57144136

IUPAC(4-hydroxyphenyl) (4-propoxyphenyl) carbonate
SMILESCCCOc1ccc(OC(=O)Oc2ccc(O)cc2)cc1
InChIInChI=1S/C16H16O5/c1-2-11-19-13-7-9-15(10-8-13)21-16(18)20-14-5-3-12(17)4-6-14/h3-10,17H,2,11H2,1H3
InChIKeyCRPUWROLSXKCLO-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.76
Rot. Bonds5

About (4-hydroxyphenyl) (4-propoxyphenyl) carbonate

(4-hydroxyphenyl) (4-propoxyphenyl) carbonate (PubChem CID 57144136) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is (4-hydroxyphenyl) (4-propoxyphenyl) carbonate.

Molecular Properties

Compound Name(4-hydroxyphenyl) (4-propoxyphenyl) carbonate
PubChem CID57144136
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name(4-hydroxyphenyl) (4-propoxyphenyl) carbonate
SMILESCCCOc1ccc(OC(=O)Oc2ccc(O)cc2)cc1
InChIInChI=1S/C16H16O5/c1-2-11-19-13-7-9-15(10-8-13)21-16(18)20-14-5-3-12(17)4-6-14/h3-10,17H,2,11H2,1H3
InChIKeyCRPUWROLSXKCLO-UHFFFAOYSA-N
XLogP3.76
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-hydroxyphenyl) 4-propoxybenzoate
CID 22925850
4-octadecoxyphenol
CID 22179059
1-(4-decoxyphenyl)-2-(4-hydroxyphenyl)ethane-1,2-dione
CID 101496849
[4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate
CID 58981515
dioxido-(4-propoxyphenoxy)borane
CID 86756777
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
CID 104564324
1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide
CID 138619746
(4-propoxyphenyl)methyl acetate
CID 150263336
[4-(4-propoxyphenoxy)carbonylphenyl] 4-octoxybenzoate
CID 101111531
1,4-dibutoxybenzene;phenol
CID 174756360
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
tert-butyl phenyl carbonate;oxocobalt;propoxybenzene
CID 89186013

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) (4-propoxyphenyl) carbonate?
The IUPAC name of (4-hydroxyphenyl) (4-propoxyphenyl) carbonate (CID 57144136) is (4-hydroxyphenyl) (4-propoxyphenyl) carbonate.
What is the SMILES notation for (4-hydroxyphenyl) (4-propoxyphenyl) carbonate?
The canonical SMILES for (4-hydroxyphenyl) (4-propoxyphenyl) carbonate is CCCOc1ccc(OC(=O)Oc2ccc(O)cc2)cc1.
What is the InChIKey of (4-hydroxyphenyl) (4-propoxyphenyl) carbonate?
The InChIKey is CRPUWROLSXKCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-2-11-19-13-7-9-15(10-8-13)21-16(18)20-14-5-3-12(17)4-6-14/h3-10,17H,2,11H2,1H3.
What are the key properties of (4-hydroxyphenyl) (4-propoxyphenyl) carbonate?
(4-hydroxyphenyl) (4-propoxyphenyl) carbonate has a molecular weight of 288.30 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) (4-propoxyphenyl) carbonate is sourced from PubChem (CID 57144136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).