[3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate

C15H13ClO4 — CID 141248604

IUPAC[3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate
SMILESCOc1ccc(COC(=O)O)cc1-c1cccc(Cl)c1
InChIInChI=1S/C15H13ClO4/c1-19-14-6-5-10(9-20-15(17)18)7-13(14)11-3-2-4-12(16)8-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyKSMCAYMYDGIKAI-UHFFFAOYSA-N
MW292.72 g/mol
LogP4.21
Rot. Bonds4

About [3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate

[3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate (PubChem CID 141248604) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate.

Molecular Properties

Compound Name[3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate
PubChem CID141248604
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Name[3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate
SMILESCOc1ccc(COC(=O)O)cc1-c1cccc(Cl)c1
InChIInChI=1S/C15H13ClO4/c1-19-14-6-5-10(9-20-15(17)18)7-13(14)11-3-2-4-12(16)8-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyKSMCAYMYDGIKAI-UHFFFAOYSA-N
XLogP4.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl hydrogen carbonate
CID 141248603
[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride
CID 68789943
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline
CID 58019873
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline;hydrochloride
CID 68789956
(4-phenylphenyl)methyl 5-chloro-2-methoxybenzoate
CID 7235683
2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid
CID 176513636
[4-[3-(3-chlorophenyl)-4-methoxy-N-methylanilino]phenyl]urea
CID 58019940
[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride
CID 158204197
2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride
CID 68790293
6-(3-chlorophenyl)-5-methoxypyridine-2-carboxylic acid
CID 71087250
2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid
CID 176513648
1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine
CID 155556362

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate?
The IUPAC name of [3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate (CID 141248604) is [3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate.
What is the SMILES notation for [3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate?
The canonical SMILES for [3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate is COc1ccc(COC(=O)O)cc1-c1cccc(Cl)c1.
What is the InChIKey of [3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate?
The InChIKey is KSMCAYMYDGIKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c1-19-14-6-5-10(9-20-15(17)18)7-13(14)11-3-2-4-12(16)8-11/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of [3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate?
[3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate has a molecular weight of 292.72 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate is sourced from PubChem (CID 141248604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).