[4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate

C14H11ClO4 — CID 146594775

IUPAC[4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate
SMILESO=C(O)Oc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11ClO4/c15-11-3-1-10(2-4-11)9-18-12-5-7-13(8-6-12)19-14(16)17/h1-8H,9H2,(H,16,17)
InChIKeyICKFVAYLEZFBQT-UHFFFAOYSA-N
MW278.69 g/mol
LogP3.98
Rot. Bonds4

About [4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate

[4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate (PubChem CID 146594775) has the molecular formula C14H11ClO4 and a molecular weight of 278.69 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate
PubChem CID146594775
Molecular FormulaC14H11ClO4
Molecular Weight278.69 g/mol
Exact Mass278.03
IUPAC Name[4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate
SMILESO=C(O)Oc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11ClO4/c15-11-3-1-10(2-4-11)9-18-12-5-7-13(8-6-12)19-14(16)17/h1-8H,9H2,(H,16,17)
InChIKeyICKFVAYLEZFBQT-UHFFFAOYSA-N
XLogP3.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
(E)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-2-oxobut-3-enoic acid
CID 82185712
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
1-[4-[(4-chlorophenoxy)methyl]phenoxy]-3-[2-[3-[4-[(4-chlorophenoxy)methyl]phenoxy]-2-oxopropoxy]ethoxy]propan-2-one
CID 57071405
[4-[(4-chlorophenyl)methoxy]phenyl]-cyclopropylmethanone
CID 6482541
acetic acid;2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 45100113
propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate
CID 82186223
4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
CID 139941742
(4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate
CID 18204640
[4-[4-(4-carboxyoxyphenoxy)butoxy]phenyl] hydrogen carbonate
CID 70558377

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate?
The IUPAC name of [4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate (CID 146594775) is [4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate.
What is the SMILES notation for [4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate?
The canonical SMILES for [4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate is O=C(O)Oc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of [4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate?
The InChIKey is ICKFVAYLEZFBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO4/c15-11-3-1-10(2-4-11)9-18-12-5-7-13(8-6-12)19-14(16)17/h1-8H,9H2,(H,16,17).
What are the key properties of [4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate?
[4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate has a molecular weight of 278.69 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate is sourced from PubChem (CID 146594775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).