(4-methoxyphenyl)methyl phenyl carbonate

C15H14O4 — CID 3084543

IUPAC(4-methoxyphenyl)methyl phenyl carbonate
SMILESCOc1ccc(COC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C15H14O4/c1-17-13-9-7-12(8-10-13)11-18-15(16)19-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyRMDRWXNFPZIFDS-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.41
Rot. Bonds4

About (4-methoxyphenyl)methyl phenyl carbonate

(4-methoxyphenyl)methyl phenyl carbonate (PubChem CID 3084543) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl phenyl carbonate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl phenyl carbonate
PubChem CID3084543
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name(4-methoxyphenyl)methyl phenyl carbonate
SMILESCOc1ccc(COC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C15H14O4/c1-17-13-9-7-12(8-10-13)11-18-15(16)19-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyRMDRWXNFPZIFDS-UHFFFAOYSA-N
XLogP3.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl (4-methylphenyl) carbonate
CID 118690287
2-O-[(4-methoxyphenyl)methoxycarbonyloxymethyl] 1-O-(phenylmethoxycarbonyloxymethyl) oxalate
CID 123421696
benzyl (4-formylphenyl) carbonate
CID 11334337
(3,5-ditert-butylphenyl)methyl phenyl carbonate
CID 13267560
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16577341
9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate
CID 173166332
[6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate
CID 165352260
[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 144750294

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl phenyl carbonate?
The IUPAC name of (4-methoxyphenyl)methyl phenyl carbonate (CID 3084543) is (4-methoxyphenyl)methyl phenyl carbonate.
What is the SMILES notation for (4-methoxyphenyl)methyl phenyl carbonate?
The canonical SMILES for (4-methoxyphenyl)methyl phenyl carbonate is COc1ccc(COC(=O)Oc2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl phenyl carbonate?
The InChIKey is RMDRWXNFPZIFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-17-13-9-7-12(8-10-13)11-18-15(16)19-14-5-3-2-4-6-14/h2-10H,11H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl phenyl carbonate?
(4-methoxyphenyl)methyl phenyl carbonate has a molecular weight of 258.27 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl phenyl carbonate is sourced from PubChem (CID 3084543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).